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Records |
Links |
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Author |
Saberi-Pouya, S.; Zarenia, M.; Perali, A.; Vazifehshenas, T.; Peeters, F.M. |
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Title |
High-temperature electron-hole superfluidity with strong anisotropic gaps in double phosphorene monolayers |
Type |
A1 Journal article |
|
Year |
2018 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
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Volume |
97 |
Issue |
17 |
Pages |
174503 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Excitonic superfluidity in double phosphorene monolayers is investigated using the BCS mean-field equations. Highly anisotropic superfluidity is predicted where we found that the maximum superfluid gap is in the Bose-Einstein condensate (BEC) regime along the armchair direction and in the BCS-BEC crossover regime along the zigzag direction. We estimate the highest Kosterlitz-Thouless transition temperature with maximum value up to similar to 90 K with onset carrier densities as high as 4 x 10(12) cm(-2). This transition temperature is significantly larger than what is found in double electron-hole few-layers graphene. Our results can guide experimental research toward the realization of anisotropic condensate states in electron-hole phosphorene monolayers. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
American Physical Society |
Place of Publication |
New York, N.Y |
Editor |
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Language |
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Wos |
000431986100002 |
Publication Date |
2018-05-02 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2469-9969; 2469-9950 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.836 |
Times cited |
17 |
Open Access |
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Notes |
; We thank David Neilson for helpful discussions. This work was partially supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem program of the Flemish government and Iran Ministry of Science, Research and Technology. ; |
Approved |
Most recent IF: 3.836 |
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Call Number |
UA @ lucian @ c:irua:151533UA @ admin @ c:irua:151533 |
Serial |
5028 |
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Permanent link to this record |
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Author |
Zhang, S.-H.; Yang, W.; Peeters, F.M. |
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Title |
Veselago focusing of anisotropic massless Dirac fermions |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
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Volume |
97 |
Issue |
20 |
Pages |
205437 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Massless Dirac fermions (MDFs) emerge as quasiparticles in various novel materials such as graphene and topological insulators, and they exhibit several intriguing properties, of which Veselago focusing is an outstanding example with a lot of possible applications. However, up to now Veselago focusing merely occurred in p-n junction devices based on the isotropic MDF, which lacks the tunability needed for realistic applications. Here, motivated by the emergence of novel Dirac materials, we investigate the propagation behaviors of anisotropic MDFs in such a p-n junction structure. By projecting the Hamiltonian of the anisotropic MDF to that of the isotropic MDF and deriving an exact analytical expression for the propagator, precise Veselago focusing is demonstrated without the need for mirror symmetry of the electron source and its focusing image. We show a tunable focusing position that can be used in a device to probe masked atom-scale defects. This study provides an innovative concept to realize Veselago focusing relevant for potential applications, and it paves the way for the design of novel electron optics devices by exploiting the anisotropic MDF. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
American Physical Society |
Place of Publication |
New York, N.Y |
Editor |
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Language |
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Wos |
000433026700005 |
Publication Date |
2018-05-22 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2469-9969; 2469-9950 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.836 |
Times cited |
9 |
Open Access |
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Notes |
; This work was supported by the National Key R&D Program of China (Grant No. 2017YFA0303400), the NSFC (Grants No. 11504018 and No. 11774021), the MOST of China (Grant No. 2014CB848700), and the NSFC program for “Scientific Research Center” (Grant No. U1530401). Support by the bilateral project (FWO-MOST) is gratefully acknowledged. S.H.Z. is also supported by “the Fundamental Research Funds for the Central Universities (ZY1824).” We acknowledge the computational support from the Beijing Computational Science Research Center (CSRC). ; |
Approved |
Most recent IF: 3.836 |
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Call Number |
UA @ lucian @ c:irua:151501UA @ admin @ c:irua:151501 |
Serial |
5047 |
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Permanent link to this record |
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Author |
Aierken, Y.; Leenaerts, O.; Peeters, F.M. |
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Title |
First-principles study of the stability and edge stress of nitrogen-decorated graphene nanoribbons |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
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Volume |
97 |
Issue |
23 |
Pages |
235436 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Edge functionalization of graphene nanoribbons with nitrogen atoms for various adatom configurations at armchair and zigzag edges are investigated. We provide comprehensive information on the electronic and magnetic properties and investigate the stability of the various systems. Two types of rippling of the nanoribbons, namely edge and bulk rippling depending on the sign of edge stress induced at the edge, are found. They are found to play the decisive role for the stability of the structures. We also propose a type of edge decoration in which every third nitrogen adatom at the zigzag edges is replaced by an oxygen atom. In this way, the electron count is compatible with a full aromatic structure, leading to additional stability and a disappearance of magnetism that is usually associated with zigzag nanoribbons. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
American Physical Society |
Place of Publication |
New York, N.Y |
Editor |
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Language |
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Wos |
000436192300006 |
Publication Date |
2018-06-25 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2469-9969; 2469-9950 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.836 |
Times cited |
1 |
Open Access |
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Notes |
; This work was supported by the Fonds Wetenschappelijk Onderzoek (FWO-Vl). The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center), funded by the Research Foundation – Flanders (FWO) and the Flemish Government – department EWI. ; |
Approved |
Most recent IF: 3.836 |
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Call Number |
UA @ lucian @ c:irua:152478UA @ admin @ c:irua:152478 |
Serial |
5104 |
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Permanent link to this record |
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Author |
Bottari, F.; Moretto, L.M.; Ugo, P. |
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Title |
Impedimetric sensing of the immuno-enzymatic reaction of gliadin with a collagen-modified electrode |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Electrochemistry communications |
Abbreviated Journal |
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Volume |
97 |
Issue |
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Pages |
51-55 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
This paper presents a previously unexplored biosensing strategy for detecting gliadin which exploits the crosslinking of gliadin with collagen, catalyzed by transglutaminase at the interfacial electron transfer rate, on a modified electrode. The process is monitored by electrochemical impedance spectroscopy using a glassy carbon electrode coated with a collagen layer. To validate the specificity of the response as well as to eliminate possible interferences from other proteins, such as soy protein or casein, the captured gliadin is further reacted with a specific anti-gliadin antibody. Changes in charge transfer resistance, measured from the Nyquist plots, scale linearly with the gliadin concentration in the range 5-20 mg/L, a range suitable for testing the gliadin concentration in gluten-free food commodities. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000451326800011 |
Publication Date |
2018-10-10 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1388-2481; 1873-1902 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:156285 |
Serial |
8067 |
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Permanent link to this record |
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Author |
Van der Donck, M.; Peeters, F.M. |
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Title |
Rich many-body phase diagram of electrons and holes in doped monolayer transition metal dichalcogenides |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
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Volume |
98 |
Issue |
11 |
Pages |
115432 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We use a variational technique to study the many-body phase diagram of electrons and holes in n-doped and p-doped monolayer transition metal dichalcogenides (TMDs). We find a total of four different phases. (i) A fully spin polarized and valley polarized ferromagnetic state. (ii) A state with no global spin polarization but with spin polarization in each valley separately, i.e., spin-valley locking. (iii) A state with spin polarization in one of the valleys and little to no spin polarization in the other valley. (iv) A paramagnetic state with no valley polarization. These phases are separated by first-order phase transitions and are determined by the particle density and the dielectric constant of the substrate. We find that in the presence of a perpendicular magnetic field the four different phases persist. In the case of n-doped MoS2, a fifth phase, which is completely valley polarized but not spin polarized, appears for magnetic fields larger than 7 T and for magnetic fields larger than 23 T completely replaces the second phase. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
American Physical Society |
Place of Publication |
New York, N.Y |
Editor |
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Language |
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Wos |
000445507000009 |
Publication Date |
2018-09-24 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2469-9969; 2469-9950 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.836 |
Times cited |
8 |
Open Access |
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Notes |
; This work was supported by the Research Foundation of Flanders (FWO-Vl) through an aspirant research grant for MVDD and by the FLAG-ERA project TRANS-2D-TMD. ; |
Approved |
Most recent IF: 3.836 |
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Call Number |
UA @ lucian @ c:irua:153622UA @ admin @ c:irua:153622 |
Serial |
5125 |
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Permanent link to this record |
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Author |
Van Pottelberge, R.; Zarenia, M.; Peeters, F.M. |
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Title |
Magnetic field dependence of atomic collapse in bilayer graphene |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
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Volume |
98 |
Issue |
11 |
Pages |
115406 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
The spectrum of a Coulomb impurity in bilayer graphene is investigated as function of the strength of a perpendicular magnetic field for different values of the angular quantum number m and for different values of the gate voltage. We point out fundamental differences between the results from the two-band and four-band model. The supercritical instability and fall-to-center phenomena are investigated in the presence of a magnetic field. We find that in the four-band model the fall-to-center phenomenon occurs as in monolayer graphene, while this is not the case in the two-band model. We find that in a magnetic field the supercritical instability manifests itself as a series of anticrossings in the hole part of the spectrum for states coming from the low-energy band. However, we also find very distinct anticrossings in the electron part of the spectrum that continue into the hole part, which are related to the higher energy band of the four-band model. At these anticrossings, we find a very sharp peak in the probability density close to the impurity, reminiscent for the fall-to-center phenomenon. In this paper, these peculiar and interesting effects are studied for different magnetic field, interlayer coupling, and bias potential strengths. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
American Physical Society |
Place of Publication |
New York, N.Y |
Editor |
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Language |
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Wos |
000443671900010 |
Publication Date |
2018-09-04 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2469-9969; 2469-9950 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.836 |
Times cited |
3 |
Open Access |
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Notes |
; We thank Matthias Van der Donck and Ben Van Duppen for fruitful discussions. This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem funding of the Flemish Government. ; |
Approved |
Most recent IF: 3.836 |
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Call Number |
UA @ lucian @ c:irua:153654UA @ admin @ c:irua:153654 |
Serial |
5113 |
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Permanent link to this record |
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Author |
Van der Donck, M.; Peeters, F.M. |
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Title |
Interlayer excitons in transition metal dichalcogenide heterostructures |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
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Volume |
98 |
Issue |
11 |
Pages |
115104 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Starting from the single-particle Dirac Hamiltonian for charge carriers in monolayer transition metal dichalcogenides (TMDs), we construct a four-band Hamiltonian describing interlayer excitons consisting of an electron in one TMD layer and a hole in the other TMD layer. An expression for the electron-hole interaction potential is derived, taking into account the effect of the dielectric environment above, below, and between the two TMD layers as well as polarization effects in the transition metal layer and in the chalcogen layers of the TMD layers. We calculate the interlayer exciton binding energy and average in-plane interparticle distance for different TMD heterostructures. The effect of different dielectric environments on the exciton binding energy is investigated and a remarkable dependence on the dielectric constant of the barrier between the two layers is found, resulting from competing effects as a function of the in-plane and out-of-plane dielectric constants of the barrier. The polarization effects in the chalcogen layers, which in general reduce the exciton binding energy, can lead to an increase in binding energy in the presence of strong substrate effects by screening the substrate. The excitonic absorbance spectrum is calculated and we show that the interlayer exciton peak depends linearly on a perpendicular electric field, which agrees with recent experimental results. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
American Physical Society |
Place of Publication |
New York, N.Y |
Editor |
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Language |
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Wos |
000443671900004 |
Publication Date |
2018-09-04 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2469-9969; 2469-9950 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.836 |
Times cited |
41 |
Open Access |
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|
Notes |
; This work was supported by the Research Foundation of Flanders (FWO-Vl) through an aspirant research grant for MVDD and by the FLAG-ERA project TRANS-2D-TMD. ; |
Approved |
Most recent IF: 3.836 |
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Call Number |
UA @ lucian @ c:irua:153653UA @ admin @ c:irua:153653 |
Serial |
5110 |
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Permanent link to this record |
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Author |
Yagmurcukardes, M.; Peeters, F.M.; Sahin, H. |
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Title |
Electronic and vibrational properties of PbI2: From bulk to monolayer |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
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Volume |
98 |
Issue |
8 |
Pages |
085431 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Using first-principles calculations, we study the dependence of the electronic and vibrational properties of multilayered PbI2 crystals on the number of layers and focus on the electronic-band structure and the Raman spectrum. Electronic-band structure calculations reveal that the direct or indirect semiconducting behavior of PbI2 is strongly influenced by the number of layers. We find that at 3L thickness there is a direct-to-indirect band gap transition (from bulk-to-monolayer). It is shown that in the Raman spectrum two prominent peaks, A(1g) and E-g, exhibit phonon hardening with an increasing number of layers due to the interlayer van der Waals interaction. Moreover, the Raman activity of the A(1g) mode significantly increases with an increasing number of layers due to the enhanced out-of-plane dielectric constant in the few-layer case. We further characterize rigid-layer vibrations of low-frequency interlayer shear (C) and breathing (LB) modes in few-layer PbI2. A reduced monatomic (linear) chain model (LCM) provides a fairly accurate picture of the number of layers dependence of the low-frequency modes and it is shown also to be a powerful tool to study the interlayer coupling strength in layered PbI2. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
American Physical Society |
Place of Publication |
New York, N.Y |
Editor |
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Language |
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Wos |
000442667200008 |
Publication Date |
2018-08-24 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2469-9969; 2469-9950 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.836 |
Times cited |
41 |
Open Access |
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Notes |
; Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). H.S. acknowledges financial support from the Scientific and Technological Research Council of Turkey (TUBITAK) under Project No. 117F095. Part of this work was supported by FLAG-ERA project TRANS-2D-TMD. ; |
Approved |
Most recent IF: 3.836 |
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Call Number |
UA @ lucian @ c:irua:153716UA @ admin @ c:irua:153716 |
Serial |
5097 |
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Permanent link to this record |
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Author |
Van Pottelberge, R.; Van Duppen, B.; Peeters, F.M. |
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Title |
Electrical dipole on gapped graphene : bound states and atomic collapse |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
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Volume |
98 |
Issue |
16 |
Pages |
165420 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We investigate the energy spectrum, wave functions, and local density of states of an electrical dipole placed on a sheet of gapped graphene as function of the charge strength Z alpha for different sizes of the dipole and for different regularization parameters. The dipole is modeled as consisting of a positive and negative charge. Bound states are found within the gap region with some energy levels that anticross and others that cross as function of the impurity strength Z alpha. The anticrossings are more pronounced and move to higher charges Z alpha when the length of the dipole decreases. These energy levels turn into atomic collapse states when they enter the positive (or negative) energy continuum. A smooth transition from the single-impurity behavior to the dipole one is observed: The states diving towards the continuum in the single-impurity case are gradually replaced by a series of anticrossings that represent a continuation of the diving states in the single-impurity case. By studying the local density of states at the edge of the dipole we show how the series of anticrossings persist in the positive and negative continuum. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
American Physical Society |
Place of Publication |
New York, N.Y |
Editor |
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Language |
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Wos |
000447302700010 |
Publication Date |
2018-10-23 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2469-9969; 2469-9950 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.836 |
Times cited |
8 |
Open Access |
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Notes |
; We thank Matthias Van der Donck for fruitful discussions. This work was supported by the Research Foundation of Flanders (FWO-V1) through an aspirant research grant for R.V.P. and a postdoctoral grant for B.V.D. ; |
Approved |
Most recent IF: 3.836 |
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Call Number |
UA @ lucian @ c:irua:154728UA @ admin @ c:irua:154728 |
Serial |
5094 |
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Permanent link to this record |
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Author |
Mulkers, J.; Hals, K.M.D.; Leliaert, J.; Milošević, M.V.; Van Waeyenberge, B.; Everschor-Sitte, K. |
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Title |
Effect of boundary-induced chirality on magnetic textures in thin films |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
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Volume |
98 |
Issue |
6 |
Pages |
064429 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
In the quest for miniaturizing magnetic devices, the effects of boundaries and surfaces become increasingly important. Here we show how the recently predicted boundary-induced Dzyaloshinskii-Moriya interaction (DMI) affects the magnetization of ferromagnetic films with a C-infinity v symmetry and a perpendicular magnetic anisotropy. For an otherwise uniformly magnetized film, we find a surface twist when the magnetization in the bulk is canted by an in-plane external field. This twist at the surfaces caused by the boundary-induced DMI differs from the common canting caused by internal DMI observed at the edges of a chiral magnet. Furthermore, we find that the surface twist due to the boundary-induced DMI strongly affects the width of the domain wall at the surfaces. We also find that the skyrmion radius increases in the depth of the film, with the average size of the skyrmion increasing with boundary-induced DMI. This increase suggests that the boundary-induced DMI contributes to the stability of the skyrmion. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
American Physical Society |
Place of Publication |
New York, N.Y |
Editor |
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Language |
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Wos |
000443394600004 |
Publication Date |
2018-08-31 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2469-9969; 2469-9950 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.836 |
Times cited |
9 |
Open Access |
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Notes |
; The authors thank Matthias Sitte and Andre Thiaville for fruitful discussions. This work was supported by the Fonds Wetenschappelijk Onderzoek (FWO-Vlaanderen) through Project No. G098917N and the German Research Foundation (DFG) under the Project No. EV 196/2-1. J.L. is supported by the Ghent University Special Research Fund with a BOF postdoctoral fellowship. ; |
Approved |
Most recent IF: 3.836 |
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Call Number |
UA @ lucian @ c:irua:153706UA @ admin @ c:irua:153706 |
Serial |
5093 |
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Permanent link to this record |
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Author |
Nakhaee, M.; Ketabi, S.A.; Peeters, F.M. |
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Title |
Dirac nodal line in bilayer borophene : tight-binding model and low-energy effective Hamiltonian |
Type |
A1 Journal article |
|
Year |
2018 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
|
|
Volume |
98 |
Issue |
11 |
Pages |
115413 |
|
|
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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|
Abstract |
Bilayer hexagonal borophene, which is bound together through pillars, is a novel topological semimetal. Using density functional theory, we investigate its electronic band structure and show that it is a Dirac material which exhibits a nodal line. A tight-binding model was constructed based on the Slater-Koster approach, which accurately models the electronic spectrum. We constructed an effective four-band model Hamiltonian to describe the spectrum near the nodal line. This Hamiltonian can be used as a new platform to study the new properties of nodal line semimetals. We found that the nodal line is created by edge states and is very robust against perturbations and impurities. Breaking symmetries can split the nodal line, but cannot open a gap. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
American Physical Society |
Place of Publication |
New York, N.Y |
Editor |
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Language |
|
Wos |
000443916200007 |
Publication Date |
2018-09-06 |
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|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
2469-9969; 2469-9950 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
3.836 |
Times cited |
19 |
Open Access |
|
|
|
Notes |
; This work was supported by the Methusalem program of the Flemish government and the graphene FLAG-ERA project TRANS-2D-TMD. ; |
Approved |
Most recent IF: 3.836 |
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Call Number |
UA @ lucian @ c:irua:153649UA @ admin @ c:irua:153649 |
Serial |
5090 |
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Permanent link to this record |
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Author |
Müller-Caspary, K.; Duchamp, M.; Roesner, M.; Migunov, V.; Winkler, F.; Yang, H.; Huth, M.; Ritz, R.; Simson, M.; Ihle, S.; Soltau, H.; Wehling, T.; Dunin-Borkowski, R.E.; Van Aert, S.; Rosenauer, A. |
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Title |
Atomic-scale quantification of charge densities in two-dimensional materials |
Type |
A1 Journal article |
|
Year |
2018 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
|
|
Volume |
98 |
Issue |
12 |
Pages |
121408 |
|
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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|
Abstract |
The charge density is among the most fundamental solid state properties determining bonding, electrical characteristics, and adsorption or catalysis at surfaces. While atomic-scale charge densities have as yet been retrieved by solid state theory, we demonstrate both charge density and electric field mapping across a mono-/bilayer boundary in 2D MoS2 by momentum-resolved scanning transmission electron microscopy. Based on consistency of the four-dimensional experimental data, statistical parameter estimation and dynamical electron scattering simulations using strain-relaxed supercells, we are able to identify an AA-type bilayer stacking and charge depletion at the Mo-terminated layer edge. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
American Physical Society |
Place of Publication |
New York, N.Y |
Editor |
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Language |
|
Wos |
000445508200004 |
Publication Date |
2018-09-24 |
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|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
2469-9969; 2469-9950 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
3.836 |
Times cited |
10 |
Open Access |
OpenAccess |
|
|
Notes |
; K.M.-C. acknowledges funding from the Initiative and Network Fund of the Helmholtz Association (VH-NG-1317) within the framework of the Helmholtz Young Investigator Group moreSTEM at Forschungszentrum Julich, Germany. ; |
Approved |
Most recent IF: 3.836 |
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|
Call Number |
UA @ lucian @ c:irua:153621 |
Serial |
5078 |
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Permanent link to this record |
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Author |
Torun, E.; Sahin, H.; Chaves, A.; Wirtz, L.; Peeters, F.M. |
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Title |
Ab initio and semiempirical modeling of excitons and trions in monolayer TiS3 |
Type |
A1 Journal article |
|
Year |
2018 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
|
|
Volume |
98 |
Issue |
7 |
Pages |
075419 |
|
|
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We explore the electronic and the optical properties of monolayer TiS3, which shows in-plane anisotropy and is composed of a chain-like structure along one of the lattice directions. Together with its robust direct band gap, which changes very slightly with stacking order and with the thickness of the sample, the anisotropic physical properties of TiS3 make the material very attractive for various device applications. In this study, we present a detailed investigation on the effect of the crystal anisotropy on the excitons and the trions of the TiS3 monolayer. We use many-body perturbation theory to calculate the absorption spectrum of anisotropic TiS3 monolayer by solving the Bethe-Salpeter equation. In parallel, we implement and use a Wannier-Mott model for the excitons that takes into account the anisotropic effective masses and Coulomb screening, which are obtained from ab initio calculations. This model is then extended for the investigation of trion states of monolayer TiS3. Our calculations indicate that the absorption spectrum of monolayer TiS3 drastically depends on the polarization of the incoming light, which excites different excitons with distinct binding energies. In addition, the binding energies of positively and the negatively charged trions are observed to be distinct and they exhibit an anisotropic probability density distribution. |
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Address |
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Corporate Author |
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Thesis |
|
|
|
Publisher |
American Physical Society |
Place of Publication |
New York, N.Y |
Editor |
|
|
|
Language |
|
Wos |
000442342100002 |
Publication Date |
2018-08-21 |
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Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
2469-9969; 2469-9950 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
3.836 |
Times cited |
10 |
Open Access |
|
|
|
Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl) and the FLAG-ERA project TRANS-2D-TMD. H.S. acknowledges financial support from TUBITAK under Project No. 117F095. A.C. acknowledges support from the Brazilian Research Council (CNPq), through the PRONEX/FUNCAP and Science Without Borders programs, and from the Lemann Foundation. E.T. and L.W. acknowledge support from the National Research Fund, Luxembourg (IN-TER/ANR/13/20/NANOTMD). ; |
Approved |
Most recent IF: 3.836 |
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|
Call Number |
UA @ lucian @ c:irua:153721UA @ admin @ c:irua:153721 |
Serial |
5076 |
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Permanent link to this record |
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Author |
Saberi-Pouya, S.; Zarenia, M.; Vazifehshenas, T.; Peeters, F.M. |
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Title |
Anisotropic charge density wave in electron-hole double monolayers : applied to phosphorene |
Type |
A1 Journal article |
|
Year |
2018 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
|
|
Volume |
98 |
Issue |
24 |
Pages |
245115 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
The possibility of an inhomogeneous charge density wave phase is investigated in a system of two coupled electron and hole monolayers separated by a hexagonal boron nitride insulating layer. The charge-density-wave state is induced through the assumption of negative compressibility of electron/hole gases in a Coulomb drag configuration between the electron and hole sheets. Under equilibrium conditions, we derive analytical expressions for the density oscillation along the zigzag and armchair directions. We find that the density modulation not only depends on the sign of the compressibility but also on the anisotropy of the low-energy bands. Our results are applicable to any two-dimensional system with anisotropic parabolic bands, characterized by different effective masses. For equal effective masses, i.e., isotropic energy bands, our results agree with Hroblak et al. [Phys. Rev. B 96, 075422 (2017)]. Our numerical results are applied to phosphorene. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000452995600001 |
Publication Date |
2018-12-12 |
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Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
2469-9969; 2469-9950 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
|
|
Impact Factor |
3.836 |
Times cited |
|
Open Access |
|
|
|
Notes |
; This work was partially supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem program of the Flemish government and Iran Science Elites Federation. ; |
Approved |
Most recent IF: 3.836 |
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Call Number |
UA @ admin @ c:irua:156233 |
Serial |
5195 |
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Permanent link to this record |
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Author |
Van der Donck, M.; Peeters, F.M. |
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Title |
Excitonic complexes in anisotropic atomically thin two-dimensional materials : black phosphorus and TiS3 |
Type |
A1 Journal article |
|
Year |
2018 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
|
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Volume |
98 |
Issue |
23 |
Pages |
235401 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
The effect of anisotropy in the energy spectrum on the binding energy and structural properties of excitons, trions, and biexcitons is investigated. To this end we employ the stochastic variational method with a correlated Gaussian basis. We present results for the binding energy of different excitonic complexes in black phosphorus (bP) and TiS3 and compare them with recent results in the literature when available, for which we find good agreement. The binding energies of excitonic complexes in bP are larger than those in TiS3. We calculate the different average interparticle distances in bP and TiS3 and show that excitonic complexes in bP are strongly anisotropic whereas in TiS3 they are almost isotropic, even though the constituent particles have an anisotropic energy spectrum. This is also confirmed by the correlation functions. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000452003400009 |
Publication Date |
2018-12-03 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
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|
ISSN |
2469-9969; 2469-9950 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
3.836 |
Times cited |
10 |
Open Access |
|
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|
Notes |
; This work was supported by the Research Foundation of Flanders (FWO-Vl) through an aspirant research grant for MVDD and by the FLAG-ERA project TRANS-2D-TMD. ; |
Approved |
Most recent IF: 3.836 |
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Call Number |
UA @ admin @ c:irua:156247 |
Serial |
5211 |
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Permanent link to this record |
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Author |
Kuo, C.-T.; Lin, S.-C.; Ghiringhelli, G.; Peng, Y.; De Luca, G.M.; Di Castro, D.; Betto, D.; Gehlmann, M.; Wijnands, T.; Huijben, M.; Meyer-Ilse, J.; Gullikson, E.; Kortright, J.B.; Vailionis, A.; Gauquelin, N.; Verbeeck, J.; Gerber, T.; Balestrino, G.; Brookes, N.B.; Braicovich, L.; Fadley, C.S. |
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Title |
Depth-resolved resonant inelastic x-ray scattering at a superconductor/half-metallic-ferromagnet interface through standing wave excitation |
Type |
A1 Journal article |
|
Year |
2018 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
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Volume |
98 |
Issue |
23 |
Pages |
235146 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
We demonstrate that combining standing wave (SW) excitation with resonant inelastic x-ray scattering (RIXS) can lead to depth resolution and interface sensitivity for studying orbital and magnetic excitations in correlated oxide heterostructures. SW-RIXS has been applied to multilayer heterostructures consisting of a superconductor La1.85Sr0.15CuO4 (LSCO) and a half-metallic ferromagnet La0.67Sr0.33MnO3 (LSMO). Easily observable SW effects on the RIXS excitations were found in these LSCO/LSMO multilayers. In addition, we observe different depth distribution of the RIXS excitations. The magnetic excitations are found to arise from the LSCO/LSMO interfaces, and there is also a suggestion that one of the dd excitations comes from the interfaces. SW-RIXS measurements of correlated-oxide and other multilayer heterostructures should provide unique layer-resolved insights concerning their orbital and magnetic excitations, as well as a challenge for RIXS theory to specifically deal with interface effects. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000454160800004 |
Publication Date |
2018-12-21 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
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ISSN |
2469-9969; 2469-9950 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
3.836 |
Times cited |
5 |
Open Access |
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Notes |
J.V. and N.G. acknowledge ˝ funding through the GOA project “Solarpaint” of the University of Antwerp. The microscope used in this work was partly funded by the Hercules Fund from the Flemish Government. |
Approved |
Most recent IF: 3.836 |
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Call Number |
UA @ admin @ c:irua:156784 |
Serial |
5363 |
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Permanent link to this record |
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Author |
Milis, K.; Peremans, H.; Van Passel, S. |
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Title |
Steering the adoption of battery storage through electricity tariff design |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Renewable & Sustainable Energy Reviews |
Abbreviated Journal |
Renew Sust Energ Rev |
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Volume |
98 |
Issue |
98 |
Pages |
125-139 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Engineering Management (ENM) |
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Abstract |
The economic viability of electricity storage using batteries, under different tariff structures and system configurations, is investigated. The economic outcomes of the different combinations of tariff design and system configuration are evaluated. Based on a discussion of the relevant literature, the following tariff designs are used in the study: (i) fixed energy prices, (ii) real-time energy pricing, (iii) fixed rate capacity tariffs, and (iv) capacity dependent capacity tariffs. Next, the different simulated system configurations are outlined: (i) no battery storage, (ii) battery storage only, and (iii) battery storage and decentralized renewable energy production with PV. Our study provides insights for policy makers, showing that capacity block pricing only incentivises storage as part of an (existing) PV installation, while the combination of real time energy pricing and capacity block pricing promotes a wider adoption of battery storage. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000450559100010 |
Publication Date |
2018-09-17 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
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Edition |
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ISSN |
1364-0321; 1879-0690 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles; WoS full record; WoS citing articles |
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Impact Factor |
8.05 |
Times cited |
7 |
Open Access |
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|
Notes |
; ; |
Approved |
Most recent IF: 8.05 |
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Call Number |
UA @ admin @ c:irua:153327 |
Serial |
6252 |
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Permanent link to this record |
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Author |
Sanchez-Barriga, J.; Aguilera, I.; Yashina, L., V; Tsukanova, D.Y.; Freyse, F.; Chaika, A.N.; Callaert, C.; Abakumov, A.M.; Hadermann, J.; Varykhalov, A.; Rienks, E.D.L.; Bihlmayer, G.; Blugel, S.; Rader, O. |
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Title |
Anomalous behavior of the electronic structure of (Bi1-xInx)2Se3across the quantum phase transition from topological to trivial insulator |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Physical review B |
Abbreviated Journal |
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Volume |
98 |
Issue |
23 |
Pages |
235110 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Using spin- and angle-resolved photoemission spectroscopy and relativistic many-body calculations, we investigate the evolution of the electronic structure of (Bi1-xInx)(2)Se-3)(2)Se-3 bulk single crystals around the critical point of the trivial to topological insulator quantum-phase transition. By increasing x, we observe how a surface gap opens at the Dirac point of the initially gapless topological surface state of Bi2Se3, leading to the existence of massive fermions. The surface gap monotonically increases for a wide range of x values across the topological and trivial sides of the quantum-phase transition. By means of photon-energy-dependent measurements, we demonstrate that the gapped surface state survives the inversion of the bulk bands which occurs at a critical point near x = 0.055. The surface state exhibits a nonzero in-plane spin polarization which decays exponentially with increasing x, and which persists in both the topological and trivial insulator phases. Our calculations reveal qualitative agreement with the experimental results all across the quantum-phase transition upon the systematic variation of the spin-orbit coupling strength. A non-time-reversal symmetry-breaking mechanism of bulk-mediated scattering processes that increase with decreasing spin-orbit coupling strength is proposed as explanation. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000452322800003 |
Publication Date |
2018-12-05 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2469-9969; 2469-9950 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
|
Times cited |
|
Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:156240 |
Serial |
7462 |
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Permanent link to this record |
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Author |
Abdullah, H.M.; Van der Donck, M.; Bahlouli, H.; Peeters, F.M.; Van Duppen, B. |
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Title |
Graphene quantum blisters : a tunable system to confine charge carriers |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
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Volume |
112 |
Issue |
21 |
Pages |
213101 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Due to Klein tunneling, electrostatic confinement of electrons in graphene is not possible. This hinders the use of graphene for quantum dot applications. Only through quasi-bound states with finite lifetime has one achieved to confine charge carriers. Here, we propose that bilayer graphene with a local region of decoupled graphene layers is able to generate bound states under the application of an electrostatic gate. The discrete energy levels in such a quantum blister correspond to localized electron and hole states in the top and bottom layers. We find that this layer localization and the energy spectrum itself are tunable by a global electrostatic gate and that the latter also coincides with the electronic modes in a graphene disk. Curiously, states with energy close to the continuum exist primarily in the classically forbidden region outside the domain defining the blister. The results are robust against variations in size and shape of the blister which shows that it is a versatile system to achieve tunable electrostatic confinement in graphene. Published by AIP Publishing. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
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Language |
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Wos |
000433140900025 |
Publication Date |
2018-05-22 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
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Edition |
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ISSN |
0003-6951; 1077-3118 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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|
Impact Factor |
3.411 |
Times cited |
9 |
Open Access |
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|
Notes |
; H.M.A. and H.B. acknowledge the Saudi Center for Theoretical Physics (SCTP) for their generous support and the support of KFUPM under physics research group Project Nos. RG1502-1 and RG1502-2. This work was supported by the Flemish Science Foundation (FWO-Vl) by a post-doctoral fellowship (B.V.D.) and a doctoral fellowship (M.V.d.D.). ; |
Approved |
Most recent IF: 3.411 |
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Call Number |
UA @ lucian @ c:irua:151505UA @ admin @ c:irua:151505 |
Serial |
5027 |
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Permanent link to this record |
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Author |
Kong, X.; Li, L.; Peeters, F.M. |
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Title |
Topological Dirac semimetal phase in <tex> $GexSny alloys |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
|
|
Volume |
112 |
Issue |
25 |
Pages |
251601 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Recently, two stable allotropes (germancite and stancite) for the group IV elements (Ge and Sn) with a staggered layered dumbell structure were proposed to be three-dimensional (3D) topological Dirac semimetals [Phys. Rev. B 93, 241117 (2016)]. A pair of Dirac points is on the rotation axis away from the time-reversal invariant momentum, and the stability of the 3D bulk Dirac points is protected by the C-3 rotation symmetry. Here, we use the first principles calculations to investigate GexSny alloys which share the same rhombohedral crystal structure with the space group of D-3d(6). Six GexSny alloys are predicted to be energetically and dynamically stable, where (x, y) = (8, 6) and (6, 8) and the alpha and beta phases of (10, 4) and (4, 10). Our results demonstrate that all the six GexSny alloys are topological Dirac semimetals. The different nontrivial surface states and surface Fermi arcs are identified. Our work will substantially enrich the family of 3D Dirac semimetals which are within the reach of experimental realization. Published by AIP Publishing. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
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Language |
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Wos |
000435987400013 |
Publication Date |
2018-06-18 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
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ISSN |
0003-6951; 1077-3118 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
3.411 |
Times cited |
8 |
Open Access |
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|
Notes |
; This work was supported by the Collaborative Innovation Center of Quantum Matter, the Fonds voor Wetenschappelijk Onderzoek (FWO-VI), and the FLAG-ERA Project TRANS 2D TMD. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center), funded by the Research Foundation – Flanders (FWO) and the Flemish Government – department EWI, and the National Supercomputing Center in Tianjin, funded by the Collaborative Innovation Center of Quantum Matter. ; |
Approved |
Most recent IF: 3.411 |
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Call Number |
UA @ lucian @ c:irua:151970UA @ admin @ c:irua:151970 |
Serial |
5045 |
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Permanent link to this record |
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Author |
Kuckova, S.; Hamidi-Asl, E.; Matulkova, I.; Hynek, R.; De Wael, K.; Sanyova, J.; Janssens, K. |
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Title |
Technoques and applications of Surface-Enhanced Raman Scattering Spectroscopy (SERSS) focused on cultural heritage |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Chemické listy |
Abbreviated Journal |
Chem Listy |
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Volume |
112 |
Issue |
5 |
Pages |
312-316 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
The review is devoted to a modern method of vibrational spectroscopy – surface enhanced Raman spectroscopy Its principle and some of its special variants (imunnoSERS and TERS (Tip-Enhanced Raman Spectroscopy)) are described m a simpinified manner Wide application possibilities are demonstrated on selected examples from its application m culturinl heritage. |
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Wos |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0009-2770; 1213-7103 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
0.387 |
Times cited |
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Open Access |
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Notes |
; ; |
Approved |
Most recent IF: 0.387 |
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Call Number |
UA @ admin @ c:irua:151616 |
Serial |
5869 |
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Permanent link to this record |
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Author |
Kumar, J.; Eraña, H.; López-Martínez, E.; Claes, N.; Martín, V.F.; Solís, D.M.; Bals, S.; Cortajarena, A.L.; Castilla, J.; Liz-Marzán, L.M. |
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Title |
Detection of amyloid fibrils in Parkinson’s disease using plasmonic chirality |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Proceedings of the National Academy of Sciences of the United States of America |
Abbreviated Journal |
P Natl Acad Sci Usa |
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Volume |
115 |
Issue |
115 |
Pages |
3225-3230 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
Amyloid fibrils, which are closely associated with various neurodegenerative
diseases, are the final products in many protein aggregation pathways. The identification of fibrils at low concentration is, therefore, pivotal in disease diagnosis and development of therapeutic strategies. We report a methodology for the specific identification of amyloid fibrils using chiroptical effects in plasmonic nanoparticles. The formation of amyloid fibrils based on α-synuclein was probed using gold nanorods, which showed no
apparent interaction with monomeric proteins but effective adsorption onto fibril structures via noncovalent interactions. The amyloid structure drives a helical nanorod arrangement, resulting in intense optical activity at the surface plasmon resonance wavelengths. This sensing technique was successfully applied to human brain homogenates of patients affected by Parkinson’s disease,
wherein protein fibrils related to the disease were identified through chiral signals from Au nanorods in the visible and near IR, whereas healthy brain samples did not exhibit any meaningful optical activity. The technique was additionally extended to the specific detection of infectious amyloids formed by prion proteins, thereby confirming the wide potential of the technique. The intense chiral response driven by strong dipolar coupling in helical Au nanorod arrangements allowed us to detect amyloid fibrils down to nanomolar concentrations. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000428382400032 |
Publication Date |
2018-03-12 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0027-8424 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
9.661 |
Times cited |
187 |
Open Access |
OpenAccess |
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Notes |
We thank Prof. Dr. J.-P. Timmermans and the Antwerp Centre of Advanced Microscopy for providing access to the Tecnai G2 Spirit BioTWIN TEM. We also thank the Basque Biobank (Basque Foundation for Health Innovation and Research, BIOEF) for providing us with Parkinson’s disease-affected brain samples. J.K. acknowledges financial support from the European Commission under Marie Sklodowska-Curie Program H2020- MSCA-IF-2015708321. S.B. and A.L.C. acknowledge European Research Council Grants 335078 COLOURATOM and 648071 ProNANO. S.B. and L.M.L.-M. acknowledge funding from European Commission Grant EUSMI 731019. A.L.C., J.C., and L.M.L.-M. acknowledge funding from Spanish Ministry of Economy and Competitiveness (MINECO) Grants MAT2013-46101- R, AGL2015-65046-C2-1-R, and BIO2016-77367-C2-1-R. (ROMEO:yellow; preprint:; postprint:restricted ; pdfversion:restricted); saraecas; ECASSara; |
Approved |
Most recent IF: 9.661 |
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Call Number |
EMAT @ emat @c:irua:150355UA @ admin @ c:irua:150355 |
Serial |
4918 |
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Permanent link to this record |
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Author |
Liao, Z.; Gauquelin, N.; Green, R.J.; Müller-Caspary, K.; Lobato, I.; Li, L.; Van Aert, S.; Verbeeck, J.; Huijben, M.; Grisolia, M.N.; Rouco, V.; El Hage, R.; Villegas, J.E.; Mercy, A.; Bibes, M.; Ghosez, P.; Sawatzky, G.A.; Rijnders, G.; Koster, G. |
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Title |
Metal–insulator-transition engineering by modulation tilt-control in perovskite nickelates for room temperature optical switching |
Type |
A1 Journal article |
|
Year |
2018 |
Publication |
America |
Abbreviated Journal |
P Natl Acad Sci Usa |
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|
Volume |
115 |
Issue |
38 |
Pages |
9515-9520 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
In transition metal perovskites ABO3 the physical properties are largely driven by the rotations of the BO6 octahedra, which can be tuned in thin films through strain and dimensionality control. However, both approaches have fundamental and practical limitations due to discrete and indirect variations in bond angles, bond lengths and film symmetry by using commercially available substrates. Here, we introduce modulation tilt control as a new approach to tune the ground state of perovskite oxide thin films by acting explicitly on the oxygen octahedra rotation modes, i.e. directly on the bond angles. By intercalating the prototype SmNiO3 target material with a tilt-control layer, we cause the system to change the natural amplitude of a given rotation mode without affecting the interactions. In contrast to strain and dimensionality engineering, our method enables a continuous fine-tuning of the materials properties. This is achieved through two independent adjustable parameters: the nature of the tilt-control material (through its symmetry, elastic constants and oxygen rotation angles) and the relative thicknesses of the target and tilt-control materials. As a result, a magnetic and electronic phase diagram can be obtained, normally only accessible by A-site element substitution, within the single SmNiO3 compound. With this unique approach, we successfully adjusted the metal-insulator transition (MIT) to room temperature to fulfill the desired conditions for optical switching applications. |
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Corporate Author |
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Thesis |
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Place of Publication |
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Language |
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Wos |
000447224900057 |
Publication Date |
2018-09-05 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0027-8424 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
9.661 |
Times cited |
50 |
Open Access |
OpenAccess |
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Notes |
We would like to acknowledge Prof. Z. Zhong for stimulated discussion. M.H., G.K. and G.R. acknowledge funding from DESCO program of the Dutch Foundation for Fundamental Research on Matter (FOM) with financial support from the Netherlands Organization for Scientific Research (NWO). This work was funded by the European Union Council under the 7th Framework Program (FP7) grant nr NMP3-LA-2010-246102 IFOX. J.V., S.V.A, N.G. and K.M.C. acknowledge funding from FWO projects G.0044.13N, G.0374.13N, G. 0368.15N, and G.0369.15N. The Qu-Ant-EM microscope was partly funded by the Hercules fund from the Flemish Government. N.G. acknowledges funding from the European Research Council under the 7th Framework Program (FP7), ERC Starting Grant 278510 VORTEX. N.G. and J.V. acknowledge financial support from the European Union under the Seventh Framework Program under a contract for an Integrated Infrastructure Initiative (Reference No. 312483- ESTEEM2). The Canadian work was supported by NSERC and the Max Planck-UBC Centre for Quantum Materials. Some experiments for this work were performed at the Canadian Light Source, which is funded by the Canada Foundation for Innovation, NSERC, the National Research Council of Canada, the Canadian Institutes of Health Research, the Government of Saskatchewan, Western Economic Diversification Canada, and the University of Saskatchewan. MB acknowledges funding from the European Research Council under the 7th Framework Program (FP7), ERC CoG grant MINT #615759. A.M. and Ph.G. were supported by the ARC project AIMED and F.R.S-FNRS PDR project HiT4FiT and acknowledge access to Céci computing facilities funded by F.R.S-FNRS (Grant No 2.5020.1), Tier-1 supercomputer of the Fédération Wallonie-Bruxelles funded by the Walloon Region (Grant No 1117545) and HPC resources from the PRACE project Megapasta. |
Approved |
Most recent IF: 9.661 |
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Call Number |
EMAT @ emat @c:irua:154784UA @ admin @ c:irua:154784 |
Serial |
5059 |
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Permanent link to this record |
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Author |
Godet, M.; Vergès-Belmin, V.; Gauquelin, N.; Saheb, M.; Monnier, J.; Leroy, E.; Bourgon, J.; Verbeeck, J.; Andraud, C. |
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Title |
Nanoscale investigation by TEM and STEM-EELS of the laser induced yellowing |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Micron |
Abbreviated Journal |
Micron |
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Volume |
115 |
Issue |
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Pages |
25-31 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Nd-YAG QS laser cleaning of soiled stone at 1064 nm can sometimes result in a more yellow appearance compared to other cleaning techniques. Especially in France, this yellowing effect is still considered as a major aesthetic issue by the architects and conservators. One explanation states that the yellowing is linked to the formation of iron-rich nanophase(s) through the laser beam interaction with black crusts that would re-deposit on the cleaned substrate after irradiation. To characterize these nanophases, a model crust containing hematite was elaborated and laser irradiated using a Nd-YAG QS laser. The color of the sample shifted instantaneously from red to a bright yellow and numerous particles were ablated in a visible smoke. Transmission electron microscopy (TEM) was used to examine the morphology and the crystallinity of the neo-formed compounds, both on the surface of the samples and in the ablated materials. In addition, an investigation of the chemical and structural properties of the nanophases was conducted by X-ray dispersive energy (EDX) and electron energy loss (EELS) spectroscopies. It was found that both the surface of the sample and the ablated materials are covered by crystallized nano-spheres and nano-residues, all containing iron and oxygen, sometimes along with calcium and sulfur. In particular an interfacial area containing the four elements was evidenced between some nanostructures and the substrate. Magnetite Fe3O4 was also identified at the nanoscale. This study demonstrates that the laser yellowing of a model crust is linked to the presence of iron-rich nanophases including CaxFeySzOδ nanostructures and magnetite Fe3O4 at the surface after irradiation. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000449125600004 |
Publication Date |
2018-08-18 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0968-4328 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.98 |
Times cited |
9 |
Open Access |
Not_Open_Access: Available from 19.08.2020
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Notes |
The authors wish to thank Valérie Lalanne for the sample preparation for TEM and Stijn Van den Broeck for the FIB cut elaboration. The research leading to these results has received funding from the European Union Seventh Framework Programme under Grant Agreement 312483 – ESTEEM2 (Integrated Infrastructure Initiative–I3). |
Approved |
Most recent IF: 1.98 |
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Call Number |
EMAT @ emat @c:irua:154356UA @ admin @ c:irua:154356 |
Serial |
5056 |
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Permanent link to this record |
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Author |
Liu, Y.; Ngo, H.H.; Guo, W.; Peng, L.; Chen, X.; Wang, D.; Pan, Y.; Ni, B.-J. |
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Title |
Modeling electron competition among nitrogen oxides reduction and N2Oaccumulation in hydrogenotrophic denitrification |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Biotechnology and bioengineering |
Abbreviated Journal |
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Volume |
115 |
Issue |
4 |
Pages |
978-988 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
Hydrogenotrophic denitrification is a novel and sustainable process for nitrogen removal, which utilizes hydrogen as electron donor, and carbon dioxide as carbon source. Recent studies have shown that nitrous oxide (N2O), a highly undesirable intermediate and potent greenhouse gas, can accumulate during this process. In this work, a new mathematical model is developed to describe nitrogen oxides dynamics, especially N2O, during hydrogenotrophic denitrification for the first time. The model describes electron competition among the four steps of hydrogenotrophic denitrification through decoupling hydrogen oxidation and nitrogen reduction processes using electron carriers, in contrast to the existing models that couple these two processes and also do not consider N2O accumulation. The developed model satisfactorily describes experimental data on nitrogen oxides dynamics obtained from two independent hydrogenotrophic denitrifying cultures under various hydrogen and nitrogen oxides supplying conditions, suggesting the validity and applicability of the model. The results indicated that N2O accumulation would not be intensified under hydrogen limiting conditions, due to the higher electron competition capacity of N2O reduction in comparison to nitrate and nitrite reduction during hydrogenotrophic denitrification. The model is expected to enhance our understanding of the process during hydrogenotrophic denitrification and the ability to predict N2O accumulation. |
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Wos |
000426493300016 |
Publication Date |
2017-12-14 |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0006-3592 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:149850 |
Serial |
8261 |
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Permanent link to this record |
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Author |
Rios, P.L.; Perali, A.; Needs, R.J.; Neilson, D. |
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Title |
Evidence from quantum Monte Carlo simulations of large-gap superfluidity and BCS-BEC crossover in double electron-hole layers |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Physical review letters |
Abbreviated Journal |
Phys Rev Lett |
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Volume |
120 |
Issue |
17 |
Pages |
177701 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We report quantum Monte Carlo evidence of the existence of large gap superfluidity in electron-hole double layers over wide density ranges. The superfluid parameters evolve from normal state to BEC with decreasing density, with the BCS state restricted to a tiny range of densities due to the strong screening of Coulomb interactions, which causes the gap to rapidly become large near the onset of superfluidity. The superfluid properties exhibit similarities to ultracold fermions and iron-based superconductors, suggesting an underlying universal behavior of BCS-BEC crossovers in pairing systems. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
New York, N.Y. |
Editor |
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Language |
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Wos |
000430547800002 |
Publication Date |
2018-04-23 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0031-9007 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
8.462 |
Times cited |
11 |
Open Access |
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Notes |
; The authors thank G. Baym, M. Bonitz, and G. Senatore for useful discussions. A. P. and D. N. acknowledge financial support from University of Camerino FAR project CESEMN and from the Italian MIUR through the PRIN 2015 program under Contract No. 2015C5SEJJ001. R. J. N. acknowledges financial support from the Engineering and Physical Sciences Research Council, U.K., under Grant No. EP/ P034616/1. P. L. R. acknowledges financial support from the Max-Planck Society. Computational resources have been provided by the High Performance Computing Service of the University of Cambridge and by the Max-Planck Institute for Solid State Research. ; |
Approved |
Most recent IF: 8.462 |
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Call Number |
UA @ lucian @ c:irua:150750UA @ admin @ c:irua:150750 |
Serial |
4967 |
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Permanent link to this record |
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Author |
Fatermans, J.; den Dekker, A. J.; Müller-Caspary, K.; Lobato, I.; O’Leary, C. M.; Nellist, P. D.; Van Aert, S. |
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Title |
Single Atom Detection from Low Contrast-to-Noise Ratio Electron Microscopy Images |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Physical review letters |
Abbreviated Journal |
Phys Rev Lett |
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Volume |
121 |
Issue |
5 |
Pages |
056101 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab |
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Abstract |
Single atom detection is of key importance to solving a wide range of scientific and technological problems. The strong interaction of electrons with matter makes transmission electron microscopy one of the most promising techniques. In particular, aberration correction using scanning transmission electron microscopy has made a significant step forward toward detecting single atoms. However, to overcome radiation damage, related to the use of high-energy electrons, the incoming electron dose should be kept low enough. This results in images exhibiting a low signal-to-noise ratio and extremely weak contrast, especially for light-element nanomaterials. To overcome this problem, a combination of physics-based model fitting and the use of a model-order selection method is proposed, enabling one to detect single atoms with high reliability. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000440143200007 |
Publication Date |
2018-07-30 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0031-9007 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
8.462 |
Times cited |
6 |
Open Access |
OpenAccess |
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Notes |
The authors acknowledge financial support from the Research Foundation Flanders (FWO, Belgium) through Project fundings (No. WO.010.16N, No. G.0368.15N, No. G.0502.18N). The authors are grateful to M. Van Bael and P. Lievens (KU Leuven) and to L. M. Liz-Marzán (CIC biomaGUNE and Ikerbasque) for providing the samples. This project has received funding from the European Research Council (ERC) under the European Unions Horizon 2020 research and innovation programme (Grant Agreement No. 770887). |
Approved |
Most recent IF: 8.462 |
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Call Number |
EMAT @ emat @c:irua:152819 |
Serial |
5004 |
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Permanent link to this record |
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Author |
Shi, W.; Callewaert, V.; Barbiellini, B.; Saniz, R.; Butterling, M.; Egger, W.; Dickmann, M.; Hugenschmidt, C.; Shakeri, B.; Meulenberg, R. W.; Brück, E.; Partoens, B.; Bansil, A.; Eijt, S.W. H. |
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Title |
Nature of the Positron State in CdSe Quantum Dots |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Physical review letters |
Abbreviated Journal |
Phys Rev Lett |
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Volume |
121 |
Issue |
5 |
Pages |
057401 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Previous studies have shown that positron-annihilation spectroscopy is a highly sensitive probe of the electronic structure and surface composition of ligand-capped semiconductor quantum dots (QDs) embedded in thin films. The nature of the associated positron state, however, whether the positron is confined inside the QDs or localized at their surfaces, has so far remained unresolved. Our positron-annihilation lifetime spectroscopy studies of CdSe QDs reveal the presence of a strong lifetime component in the narrow range of 358–371 ps, indicating abundant trapping and annihilation of positrons at the surfaces of the QDs. Furthermore, our ab initio calculations of the positron wave function and lifetime employing a recent formulation of the weighted density approximation demonstrate the presence of a positron surface state and predict positron lifetimes close to experimental values. Our study thus resolves the long-standing question regarding the nature of the positron state in semiconductor QDs and opens the way to extract quantitative information on surface composition and ligand-surface interactions of colloidal semiconductor QDs through highly sensitive positron-annihilation techniques. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000440635300012 |
Publication Date |
2018-08-02 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0031-9007 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
8.462 |
Times cited |
6 |
Open Access |
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Notes |
The work at Delft University of Technology was supported by the China Scholarship Council (CSC) grant of W. S. We acknowledge financial support for this research from ADEM, A green Deal in Energy Materials of the Ministry of Economic Affairs of The Netherlands. The PALS study is based upon experiments performed at the PLEPS instrument of the NEPOMUC facility at the Heinz Maier-Leibnitz Zentrum (MLZ), Garching, Germany, and was supported by the European Commission under the 7th Framework Program, Key Action: Strengthening the European Research Area, Research Infrastructures, Contract No. 226507, NMI3. The work at the University of Maine was supported by the National Science Foundation under Grant No. DMR-1206940. V. C. and R. S. were supported by the FWO-Vlaanderen through Project No. G. 0224.14N. Computational resources and services used in this work were in part provided by the VSC (Flemish Supercomputer Center) and the HPC infrastructure of the University of Antwerp (CalcUA), both funded by the FWO-Vlaanderen and the Flemish Government (EWI Department). The work at Northeastern University was supported by the U.S. Department of Energy (DOE), Office of Science, Basic Energy Sciences Grant No. DE-FG02-07ER46352 (core research), and benefited from Northeastern University’s Advanced Scientific Computation Center (ASCC), the National Energy Research Scientific Computing Center (NERSC) through DOE Grant No. DE-AC02-05CH11231, and support (functionals for modeling positron spectros- copies of layered materials) from the DOE EFRC: Center for the Computational Design of Functional Layered Materials (CCDM) under DE-SC0012575. |
Approved |
Most recent IF: 8.462 |
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Call Number |
CMT @ cmt @c:irua:152999UA @ admin @ c:irua:152999 |
Serial |
5009 |
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Permanent link to this record |
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Author |
Zarenia, M.; Hamilton, A.R.; Peeters, F.M.; Neilson, D. |
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Title |
Multiband mechanism for the sign reversal of Coulomb drag observed in double bilayer graphene heterostructures |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Physical review letters |
Abbreviated Journal |
Phys Rev Lett |
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Volume |
121 |
Issue |
3 |
Pages |
036601 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Coupled 2D sheets of electrons and holes are predicted to support novel quantum phases. Two experiments of Coulomb drag in electron-hole (e-h) double bilayer graphene (DBLG) have reported an unexplained and puzzling sign reversal of the drag signal. However, we show that this effect is due to the multiband character of DBLG. Our multiband Fermi liquid theory produces excellent agreement and captures the key features of the experimental drag resistance for all temperatures. This demonstrates the importance of multiband effects in DBLG: they have a strong effect not only on superfluidity, but also on the drag. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
New York, N.Y. |
Editor |
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Language |
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Wos |
000438883600008 |
Publication Date |
2018-07-18 |
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0031-9007 |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
8.462 |
Times cited |
7 |
Open Access |
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Notes |
; We are grateful to Cory Dean, Emanuel Tutuc, and their research groups for discussing details of their experiments with us. This work was partially supported by the Flemish Science Foundation (FWO-Vl), the Methusalem program of the Flemish government, and the Australian Government through the Australian Research Council Centre of Excellence in Future Low-Energy Electronics Technologies (Project No. CE170100039). D. N. acknowledges support from the University of Camerino FAR project CESEMN. ; |
Approved |
Most recent IF: 8.462 |
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Call Number |
UA @ lucian @ c:irua:152416UA @ admin @ c:irua:152416 |
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5116 |
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Author |
Wang, W.; Snoeckx, R.; Zhang, X.; Cha, M.S.; Bogaerts, A. |
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Title |
Modeling Plasma-based CO2and CH4Conversion in Mixtures with N2, O2, and H2O: The Bigger Plasma Chemistry Picture |
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A1 Journal article |
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Year |
2018 |
Publication |
The journal of physical chemistry: C : nanomaterials and interfaces |
Abbreviated Journal |
J Phys Chem C |
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Volume |
122 |
Issue |
16 |
Pages |
8704-8723 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Because of the unique properties of plasma technology, its use in gas conversion applications is gaining significant interest around the globe. Plasma-based CO2 and CH4 conversion has become a major research area. Many investigations have already been performed regarding the single-component gases, that is, CO2 splitting and CH4 reforming, as well as for two-component mixtures, that is, dry reforming of methane
(CO2/CH4), partial oxidation of methane (CH4/O2), artificial photosynthesis (CO2/H2O), CO2 hydrogenation (CO2/H2), and even first steps toward the influence of N2 impurities have been taken, that is, CO2/N2 and CH4/N2. In this Feature Article we briefly discuss the advances made in literature for these different steps from a plasma chemistry modeling point of view. Subsequently, we present a comprehensive plasma chemistry set, combining the knowledge gathered in this field so far and supported with extensive experimental data. This set can be used for chemical kinetics plasma modeling for all possible combinations of CO2, CH4, N2, O2, and H2O to investigate the bigger picture of the underlying plasmachemical pathways for these mixtures in a dielectric barrier discharge plasma. This is extremely valuable
for the optimization of existing plasma-based CO2 conversion and CH4 reforming processes as well as for investigating the influence of N2, O2, and H2O on these processes and even to support plasma-based multireforming processes. |
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Wos |
000431151200002 |
Publication Date |
2018-04-26 |
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ISSN |
1932-7447 |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.536 |
Times cited |
28 |
Open Access |
OpenAccess |
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Notes |
Federaal Wetenschapsbeleid, IAP/7 ; King Abdullah University of Science and Technology; H2020 Marie Sklodowska-Curie Actions, 657304 ; Fonds Wetenschappelijk Onderzoek, G.0217.14N G.0383.16N G.0254.14N ; |
Approved |
Most recent IF: 4.536 |
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Call Number |
PLASMANT @ plasmant @c:irua:150969 |
Serial |
4922 |
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