Records |
Author |
Sobrino Fernandez, M.M.; Neek-Amal, M.; Peeters, F.M. |
Title |
AA-stacked bilayer square ice between graphene layers |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
92 |
Issue |
92 |
Pages |
245428 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Water confined between two graphene layers with a separation of a few A forms a layered two-dimensional ice structure. Using large scale molecular dynamics simulations with the adoptable ReaxFF interatomic potential we found that flat monolayer ice with a rhombic-square structure nucleates between the graphene layers which is nonpolar and nonferroelectric. We provide different energetic considerations and H-bonding results that explain the interlayer and intralayer properties of two-dimensional ice. The controversial AA stacking found experimentally [Algara-Siller et al., Nature (London) 519, 443 (2015)] is consistent with our minimum-energy crystal structure of bilayer ice. Furthermore, we predict that an odd number of layers of ice has the same lattice structure as monolayer ice, while an even number of ice layers exhibits the square ice AA stacking of bilayer ice. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Lancaster, Pa |
Editor |
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Language |
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Wos |
000366731800004 |
Publication Date |
2015-12-17 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1098-0121; 1550-235x |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
40 |
Open Access |
|
Notes |
; This work was supported by the ESF-Eurographene project CONGRAN, and the Flemish Science Foundation (FWO-Vl). ; |
Approved |
Most recent IF: 3.836; 2015 IF: 3.736 |
Call Number |
c:irua:130203 |
Serial |
4127 |
Permanent link to this record |
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|
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Author |
Yang, C.H.; Peeters, F.M.; Xu, W. |
Title |
Density of states and magneto-optical conductivity of graphene in a perpendicular magnetic field |
Type |
A1 Journal article |
Year |
2010 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
82 |
Issue |
20 |
Pages |
205428 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
The density of states (DOS) and the optical conductivity of graphene is calculated in the presence of a perpendicular magnetic field and where scattering on charged and short-range impurities is included. The standard Kubo formula is employed where the self-energy induced by impurity scattering and the Green's function are calculated self-consistently including inter-Landau level (LL) coupling and screening effects. It is found that the scattering from those two types of impurities results in a symmetric LL broadening and asymmetric inter-LL coupling renormalizes the LL positions to lower energy. The peak position and intensity of the magneto-optical conductivity depends on the filling factor and the broadened DOS. Good agreement is found with recent cyclotron resonance measurements. |
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 |
000284400700003 |
Publication Date |
2010-11-18 |
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 |
|
Edition |
|
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
39 |
Open Access |
|
Notes |
; This work was supported by the National Natural Science Foundation of China under Grant No. 10804053, the Flemish Science Foundation (FWO-Vl), the Belgian Science Policy (IAP), and the Chinese Academy of Sciences and Department of Science and Technology of Yunnan Province. ; |
Approved |
Most recent IF: 3.836; 2010 IF: 3.774 |
Call Number |
UA @ lucian @ c:irua:95543 |
Serial |
641 |
Permanent link to this record |
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|
Author |
Çakir, D.; Peeters, F.M. |
Title |
Dependence of the electronic and transport properties of metal-MoSe2 interfaces on contact structures |
Type |
A1 Journal article |
Year |
2014 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
89 |
Issue |
24 |
Pages |
245403 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Transition metal dichalcogenides (TMDs) are considered as promising candidates for next generation of electronic and optoelectronic devices. To make use of these materials, for instance in field effect transistor applications, it is mandatory to know the detailed properties of contacts of such TMDs with metal electrodes. Here, we investigate the role of the contact structure on the electronic and transport properties of metal-MoSe2 interfaces. Two different contact types, namely face and edge contacts, are studied. We consider both low (Sc) and high (Au) work function metals in order to thoroughly elucidate the role of the metal work function and the type of metal. First principles plane wave calculations and transport calculations based on nonequilibrium Green's function formalism reveal that the contact type has a large impact on the electronic and transport properties of metal-MoSe2 interfaces. For the Sc electrode, the Schottky barrier heights are around 0.25 eV for face contact and bigger than 0.6 eV for edge contact. For the Au case, we calculate very similar barrier heights for both contact types with an average value of 0.5 eV. Furthermore, while the face contact is found to be highly advantageous as compared to the edge contact for the Sc electrode, the latter contact becomes a better choice for the Au electrode. Our findings provide guidelines for the fabrication of TMD-based devices. |
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 |
000336917700004 |
Publication Date |
2014-06-04 |
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 |
|
Edition |
|
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
39 |
Open Access |
|
Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem foundation of the Flemish government. Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure), and HPC infrastructure of the University of Antwerp (CalcUA), a division of the Flemish Supercomputer Center (VSC), which is funded by the Hercules foundation. D. C. is supported by a FWO Pegasus-short Marie Curie Fellowship. ; |
Approved |
Most recent IF: 3.836; 2014 IF: 3.736 |
Call Number |
UA @ lucian @ c:irua:117750 |
Serial |
644 |
Permanent link to this record |
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Author |
Slachmuylders, A.F.; Partoens, B.; Magnus, W.; Peeters, F.M. |
Title |
Dielectric mismatch effect on the exciton states in cylindrical nanowires |
Type |
A1 Journal article |
Year |
2006 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
74 |
Issue |
23 |
Pages |
235321,1-8 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
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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 |
Lancaster, Pa |
Editor |
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Language |
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Wos |
000243195700080 |
Publication Date |
2006-12-20 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
39 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.836; 2006 IF: 3.107 |
Call Number |
UA @ lucian @ c:irua:62178 |
Serial |
693 |
Permanent link to this record |
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Author |
Blumenau, A.T.; Jones, R.; Frauenheim, T.; Willems, B.; Lebedev, O.I.; Van Tendeloo, G.; Fisher, D.; Martineau, P.M. |
Title |
Dislocations in diamond : dissociation into partials and their glide motion |
Type |
A1 Journal article |
Year |
2003 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
68 |
Issue |
1 |
Pages |
014115-14119 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
The dissociation of 60degrees and screw dislocations in diamond is modeled in an approach combining isotropic elasticity theory with ab initio-based tight-binding total-energy calculations. Both dislocations are found to dissociate with a substantial lowering of their line energies. For the 60degrees dislocation, however, an energy barrier to dissociation is found. We investigate the core structure of a screw dislocation distinguishing “shuffle,” “mixed,” and “glide” cores. The latter is found to be the most stable undissociated screw dislocation. Further, the glide motion of 90degrees and 30degrees partials is discussed in terms of a process involving the thermal formation and subsequent migration of kinks along the dislocation line. The calculated activation barriers to dislocation motion show that the 30degrees partial is less mobile than the 90degrees partial. Finally, high-resolution electron microscopy is performed on high-temperature, high-pressure annealed natural brown diamond, allowing the core regions of 60degrees dislocations to be imaged. The majority of dislocations are found to be dissociated. However, in some cases, undissociated 60degrees dislocations were also observed. |
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 |
000184582900050 |
Publication Date |
2003-08-01 |
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 |
|
ISSN |
0163-1829;1095-3795; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
39 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.836; 2003 IF: NA |
Call Number |
UA @ lucian @ c:irua:103800 |
Serial |
734 |
Permanent link to this record |
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Author |
Kerkhofs, S.; Willhammar, T.; Van Den Noortgate, H.; Kirschhock, C.E.A.; Breynaert, E.; Van Tendeloo, G.; Bals, S.; Martens, J.A. |
Title |
Self-Assembly of Pluronic F127—Silica Spherical Core–Shell Nanoparticles in Cubic Close-Packed Structures |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
Volume |
27 |
Issue |
27 |
Pages |
5161-5169 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
A new ordered mesoporous silica material (COK-19) with cubic symmetry is synthesized by silicate polycondensation in a citric acid/citrate buffered micellar solution of Pluronic F127 triblock copolymer near neutral pH. SAXS, nitrogen adsorption, TEM, and electron tomography reveal the final material has a cubic close packed symmetry (Fm3̅m) with isolated spherical mesopores interconnected through micropores. Heating of the synthesis medium from room temperature to 70 °C results in a mesopore size increase from 7.0 to 11.2 nm. Stepwise addition of the silicate source allows isolation of a sequence of intermediates that upon characterization with small-angle X-ray scattering uncovers the formation process via formation and aggregation of individual silica-covered Pluronic micelles. |
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 |
000359499100003 |
Publication Date |
2015-07-24 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0897-4756 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
9.466 |
Times cited |
39 |
Open Access |
OpenAccess |
Notes |
J.A.M. acknowledges the Flemish government for long-term structural funding (Methusalem, METH/08/04). The Belgian government is acknowledged for financing the interuniversity poles of attraction (IAP-PAI, P7/05 FS2). G.V.T., S.B. and T.W. acknowledge financial support from European Research Council (ERC Starting Grant no. 335078-COLOURATOMS). E.B. acknowledges financial support the Flemish FWO for a postdoctoral fellowship (1265013N). The authors gratefully thank Kristof Houthoofd for performing the NMR experiments.; ECAS_Sara; (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot); |
Approved |
Most recent IF: 9.466; 2015 IF: 8.354 |
Call Number |
c:irua:127758 |
Serial |
3977 |
Permanent link to this record |
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Author |
Sivek, J.; Leenaerts, O.; Partoens, B.; Peeters, F.M. |
Title |
First-principles investigation of bilayer fluorographene |
Type |
A1 Journal article |
Year |
2012 |
Publication |
The journal of physical chemistry: C : nanomaterials and interfaces |
Abbreviated Journal |
J Phys Chem C |
Volume |
116 |
Issue |
36 |
Pages |
19240-19245 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
Abstract |
Ab initio calculations within the density functional theory formalism are performed to investigate the stability and electronic properties of fluorinated bilayer graphene (bilayer fluorographene). A comparison is made to previously investigated graphane, bilayer graphane, and fluorographene. Bilayer fluorographene is found to be a much more stable material than bilayer graphane. Its electronic band structure is similar to that of monolayer fluorographene, but its electronic band gap is significantly larger (about 1 eV). We also calculate the effective masses around the Gamma-point for fluorographene and bilayer fluorographene and find that they are isotropic, in contrast to earlier reports. Furthermore, it is found that bilayer fluorographene is almost as strong as graphene, as its 2D Young's modulus is approximately 300 N m(-1). |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Washington, D.C. |
Editor |
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Language |
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Wos |
000308631300022 |
Publication Date |
2012-08-21 |
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 |
|
ISSN |
1932-7447;1932-7455; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
4.536 |
Times cited |
39 |
Open Access |
|
Notes |
; This work is supported by the ESF-Eurocores program EuroGRAPHENE (project CONERAN) and the Flemish Science Foundation (FWO-V1). ; |
Approved |
Most recent IF: 4.536; 2012 IF: 4.814 |
Call Number |
UA @ lucian @ c:irua:101842 |
Serial |
1211 |
Permanent link to this record |
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Author |
Caignaert, V.; Abakumov, A.M.; Pelloquin, D.; Pralong, V.; Maignan, A.; Van Tendeloo, G.; Raveau, B. |
Title |
A new mixed-valence ferrite with a cubic structure, YBaFe4O7: spin-glass-like behavior |
Type |
A1 Journal article |
Year |
2009 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
Volume |
21 |
Issue |
6 |
Pages |
1116-1122 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
A new mixed-valence ferrite, YBaFe4O7, has been synthesized. Its unique cubic structure, with a = 8.9595(2) Å, is closely related to that of the hexagonal 114 oxides YBaCo4O7 and CaBaFe4O7. It consists of corner-sharing FeO4 tetrahedra, forming triangular and kagome layers parallel to (111)C. In fact, the YBaFe4O7 and CaBaFe4O7 structures can be described as two different ccc and chch close packings of [BaO3]∞ and [O4]∞ layers, respectively, whose tetrahedral cavities are occupied by Fe2+/Fe3+ cations. The local structure of YBaFe4O7 is characterized by a large amount of stacking faults originating from the presence of hexagonal layers in the ccc cubic close-packed YBaFe4O7 structure. In this way, they belong to the large family of spinels and hexagonal ferrites studied for their magnetic properties. Differently from all the ferrites and especially from CaBaFe4O7, which are ferrimagnetic, YBaFe4O7 is an insulating spin glass with Tg = 50 K. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Washington, D.C. |
Editor |
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Language |
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Wos |
000264310900019 |
Publication Date |
2009-02-25 |
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 |
|
ISSN |
0897-4756;1520-5002; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
9.466 |
Times cited |
39 |
Open Access |
|
Notes |
Esteem 026019 |
Approved |
Most recent IF: 9.466; 2009 IF: 5.368 |
Call Number |
UA @ lucian @ c:irua:76432 |
Serial |
2325 |
Permanent link to this record |
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Author |
Gou, H.; Tsirlin, A.A.; Bykova, E.; Abakumov, A.M.; Van Tendeloo, G.; Richter, A.; Ovsyannikov, S.V.; Kurnosov, A.V.; Trots, D.M.; Konôpková, Z.; Liermann, H.P.; Dubrovinsky, L.; Dubrovinskaia, N.; |
Title |
Peierls distortion, magnetism, and high hardness of manganese tetraboride |
Type |
A1 Journal article |
Year |
2014 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
89 |
Issue |
6 |
Pages |
064108-64109 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
We report crystal structure, electronic structure, and magnetism of manganese tetraboride, MnB4, synthesized under high-pressure, high-temperature conditions. In contrast to superconducting FeB4 and metallic CrB4, which are both orthorhombic, MnB4 features a monoclinic crystal structure. Its lower symmetry originates from a Peierls distortion of the Mn chains. This distortion nearly opens the gap at the Fermi level, but despite the strong dimerization and the proximity of MnB4 to the insulating state, we find indications for a sizable paramagnetic effective moment of about 1.7 mu(B)/f.u., ferromagnetic spin correlations, and, even more surprisingly, a prominent electronic contribution to the specific heat. However, no magnetic order has been observed in standard thermodynamic measurements down to 2 K. Altogether, this renders MnB4 a structurally simple but microscopically enigmatic material; we argue that its properties may be influenced by electronic correlations. |
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 |
000332405000002 |
Publication Date |
2014-02-24 |
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 |
|
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
39 |
Open Access |
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Notes |
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Approved |
Most recent IF: 3.836; 2014 IF: 3.736 |
Call Number |
UA @ lucian @ c:irua:115819 |
Serial |
2571 |
Permanent link to this record |
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Author |
Berdiyorov, G.R.; Milošević, M.V.; Baelus, B.J.; Peeters, F.M. |
Title |
Superconducting vortex state in a mesoscopic disk containing a blind hole |
Type |
A1 Journal article |
Year |
2004 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
70 |
Issue |
|
Pages |
024508,1-15 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
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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 |
Lancaster, Pa |
Editor |
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Language |
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Wos |
000222996600068 |
Publication Date |
2004-07-19 |
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 |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
39 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.836; 2004 IF: 3.075 |
Call Number |
UA @ lucian @ c:irua:57250 |
Serial |
3369 |
Permanent link to this record |
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Author |
Zhao, H.J.; Misko, V.R.; Peeters, F.M.; Oboznov, V.; Dubonos, S.V.; Grigorieva, I.V. |
Title |
Vortex states in mesoscopic superconducting squares: formation of vortex shells |
Type |
A1 Journal article |
Year |
2008 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
78 |
Issue |
10 |
Pages |
104517 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
We analyze theoretically and experimentally vortex configurations in mesoscopic superconducting squares. Our theoretical approach is based on the analytical solution of the London equation using Green's-function method. The potential-energy landscape found for each vortex configuration is then used in Langevin-type molecular-dynamics simulations to obtain stable vortex configurations. Metastable states and transitions between them and the ground state are analyzed. We present our results of the first direct visualization of vortex patterns in micrometer-sized Nb squares, using the Bitter decoration technique. We show that the filling rules for vortices in squares with increasing applied magnetic field can be formulated, although in a different manner than in disks, in terms of formation of vortex “shells”. |
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 |
000259690400093 |
Publication Date |
2008-09-18 |
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 |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
39 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.836; 2008 IF: 3.322 |
Call Number |
UA @ lucian @ c:irua:102608 |
Serial |
3890 |
Permanent link to this record |
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Author |
Sevik, C.; Çakir, D.; Gulseren, O.; Peeters, F.M. |
Title |
Peculiar piezoelectric properties of soft two-dimensional materials |
Type |
A1 Journal article |
Year |
2016 |
Publication |
The journal of physical chemistry: C : nanomaterials and interfaces |
Abbreviated Journal |
J Phys Chem C |
Volume |
120 |
Issue |
120 |
Pages |
13948-13953 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
Abstract |
Group II-VI semiconductor honeycomb monolayers have a noncentrosymmetric crystal structure and therefore are expected to be important for nano piezoelectric device applications. This motivated us to perform first principles calculations based on density functional theory to unveil the piezoelectric properties (i.e., piezoelectric stress (e(11)) and piezoelectric strain (d(11)) coefficients) of these monolayer materials with chemical formula MX (where M = Be, Mg, Ca, Sr, Ba, Zr, Cd and X = S, Se, Te). We found that these two-dimensional materials have peculiar piezoelectric properties with d(11) coefficients 1 order of magnitude larger than those of commercially utilized bulk materials. A clear trend in their piezoelectric properties emerges, which |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Washington, D.C. |
Editor |
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Language |
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Wos |
000379457000010 |
Publication Date |
2016-06-09 |
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 |
|
Edition |
|
ISSN |
1932-7447; 1932-7455 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
4.536 |
Times cited |
39 |
Open Access |
|
Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl), the Methusalem foundation of the Flemish government and the Bilateral program FWO-TUBITAK between Flanders and Turkey. We acknowledge the support from the Scientific and Technological Research Council of Turkey (TUBITAK-115F024). Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure), and HPC infrastructure of the University of Antwerp (Cal-cUA) a division of the Flemish Supercomputer Center (VSC), which is funded by the Hercules foundation. C.S. acknowledges the support from the Scientific and Technological Research Council of Turkey (TUBITAK-113F333) and the support from Anadolu University (BAP-1407F335, -1505F200), and the Turkish Academy of Sciences (TUBA-GEBIP). ; |
Approved |
Most recent IF: 4.536 |
Call Number |
UA @ lucian @ c:irua:134948 |
Serial |
4222 |
Permanent link to this record |
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|
Author |
Wu, S.-M.; Liu, X.-L.; Lian, X.-L.; Tian, G.; Janiak, C.; Zhang, Y.-X.; Lu, Y.; Yu, H.-Z.; Hu, J.; Wei, H.; Zhao, H.; Chang, G.-G.; Van Tendeloo, G.; Wang, L.-Y.; Yang, X.-Y.; Su, B.-L. |
Title |
Homojunction of oxygen and titanium vacancies and its interfacial n-p effect |
Type |
A1 Journal article |
Year |
2018 |
Publication |
Advanced materials |
Abbreviated Journal |
Adv Mater |
Volume |
30 |
Issue |
32 |
Pages |
1802173 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
Abstract |
The homojunction of oxygen/metal vacancies and its interfacial n-p effect on the physiochemical properties are rarely reported. Interfacial n-p homojunctions of TiO2 are fabricated by directly decorating interfacial p-type titanium-defected TiO2 around n-type oxygen-defected TiO2 nanocrystals in amorphous-anatase homogeneous nanostructures. Experimental measurements and theoretical calculations on the cell lattice parameters show that the homojunction of oxygen and titanium vacancies changes the charge density of TiO2; a strong EPR signal caused by oxygen vacancies and an unreported strong titanium vacancies signal of 2D H-1 TQ-SQ MAS NMR are present. Amorphous-anatase TiO2 shows significant performance regarding the photogeneration current, photocatalysis, and energy storage, owing to interfacial n-type to p-type conductivity with high charge mobility and less structural confinement of amorphous clusters. A new homojunction of oxygen and titanium vacancies concept, characteristics, and mechanism are proposed at an atomic-/nanoscale to clarify the generation of oxygen vacancies and titanium vacancies as well as the interface electron transfer. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Weinheim |
Editor |
|
Language |
|
Wos |
000440813300022 |
Publication Date |
2018-06-27 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0935-9648 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
19.791 |
Times cited |
39 |
Open Access |
Not_Open_Access |
Notes |
; This work was supported by National Key R&D Program of China (2017YFC1103800), National SFC (U1662134, U1663225, 51472190, 51611530672, 21711530705, 51503166, 21706199), ISTCP (2015DFE52870), PCSIRT (IRT_15R52), HPNSF (2016CFA033, 2017CFB487), and SKLPPC (PPC2016007). ; |
Approved |
Most recent IF: 19.791 |
Call Number |
UA @ lucian @ c:irua:153106 |
Serial |
5105 |
Permanent link to this record |
|
|
|
Author |
Bafekry, A.; Stampfl, C.; Shayesteh, S.F.; Peeters, F.M. |
Title |
Exploiting the novel electronic and magnetic structure of C3Nvia functionalization and conformation |
Type |
A1 Journal article |
Year |
2019 |
Publication |
Advanced Electronic Materials |
Abbreviated Journal |
Adv Electron Mater |
Volume |
5 |
Issue |
5 |
Pages |
1900459 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
Abstract |
2D polyaniline, C3N, is of recent high interest due to its unusual properties and potential use in various technological applications. In this work, through systematic first-principles calculations, the atomic, electronic, and magnetic structure of C3N and the changes induced due to functionalization by the adsorption of hydrogen, oxygen, and fluorine, for different coverages and sites, as well as on formation of nanoribbons including the effect of adsorbed hydrogen and oxygen, and the effect of strain, are investigated. Among other interesting phenomena, for hydrogen adsorption, a semiconductor-to-topological insulator transition, where two Dirac-points appear around the Fermi level, as well as ferromagnetic ordering for both hydrogen and oxygen functionalization, is identified. Considering C3N nanoribbons, adsorption of H leads to significant changes in the electronic properties, such as transforming the structures from semiconductor to metallic. Furthermore, investigating the effect of strain on the physical properties, it is found that the band gap can be significantly altered and controlled. The present findings predict that a wide variation in the magnetic and electronic structure of C3N can be achieved by adatom functionalization and conformation indicating its high potential for use in various technological applications, ranging from catalysis, energy storage, and nanoelectronic devices. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
|
Editor |
|
Language |
|
Wos |
000486528200001 |
Publication Date |
2019-09-13 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
2199-160x |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
4.193 |
Times cited |
39 |
Open Access |
|
Notes |
; This work was supported by the FLAG-ERA project 2DTRANS and the Flemish Science Foundation (FWO-Vl). In addition, we acknowledge the OpenMX team for OpenMX code. ; |
Approved |
Most recent IF: 4.193 |
Call Number |
UA @ admin @ c:irua:162790 |
Serial |
5414 |
Permanent link to this record |
|
|
|
Author |
Kirkwood, N.; De Backer, A.; Altantzis, T.; Winckelmans, N.; Longo, A.; Antolinez, F.V.; Rabouw, F.T.; De Trizio, L.; Geuchies, J.J.; Mulder, J.T.; Renaud, N.; Bals, S.; Manna, L.; Houtepen, A.J. |
Title |
Locating and controlling the Zn content in In(Zn)P quantum dots |
Type |
A1 Journal article |
Year |
2019 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
Volume |
32 |
Issue |
32 |
Pages |
557-565 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
Zinc is routinely employed in the synthesis of InP quantum dots (QDs) to improve the photoluminescence efficiency and carrier mobility of the resulting In(Zn)P alloy nanostructures. The exact location of Zn in the final structures and the mechanism by which it enhances the optoelectronic properties of the QDs is debated. We use synchrotron X-ray absorbance spectroscopy to show that the majority of Zn in In(Zn)P QDs is located at their surface as Zn-carboxylates. However, a small amount of Zn is present inside the bulk of the QDs with the consequent contraction of their lattice, as confirmed by combining high resolution high-angle annular dark-field imaging scanning transmission electron microscopy (HAADF-STEM) with statistical parameter estimation theory. We further demonstrate that the Zn content and its incorporation into the QDs can be tuned by the ligation of commonly employed Zn carboxylate precursors: the use of highly reactive Zn-acetate leads to the formation of undesired Zn3P2 and the final nanostructures being characterized by broad optical features, whereas Zn-carboxylates with longer carbon chains lead to InP crystals with much lower zinc content and narrow optical features. These results can explain the differences between structural and optical properties of In(Zn)P samples reported across the literature, and provide a rational method to tune the amount of Zn in InP nanocrystals and to drive the incorporation of Zn either as surface Zn-carboxylate, as a substitutional dopant inside the InP crystal lattice, or even predominantly as Zn3P2. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
|
Editor |
|
Language |
|
Wos |
000507721600056 |
Publication Date |
2019-12-13 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0897-4756 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
9.466 |
Times cited |
39 |
Open Access |
OpenAccess |
Notes |
A.J.H. acknowledges support from the European Research Council Horizon 2020 ERC Grant Agreement No. 678004 (Doping on Demand). This research is supported by the Dutch Technology Foundation TTW, which is part of The Netherlands Organization for Scientific Research (NWO), and which is partly funded by Ministry of Economic Affairs. SB acknowledges funding from the European Research Council (grant 815128 REALNANO). The authors gratefully acknowledge funding from the Research Foundation Flanders (FWO, Belgium) through project funding G.0381.16N and a postdoctoral grant to A.D.B. AJH, LM and JM acknowledge support from the H2020 Collaborative Project TEQ (Grant No. 766900).; sygma |
Approved |
Most recent IF: 9.466 |
Call Number |
EMAT @ emat @c:irua:165234 |
Serial |
5438 |
Permanent link to this record |
|
|
|
Author |
Neek-Amal, M.; Beheshtian, J.; Sadeghi, A.; Michel, K.H.; Peeters, F.M. |
Title |
Boron nitride mono layer : a strain-tunable nanosensor |
Type |
A1 Journal article |
Year |
2013 |
Publication |
The journal of physical chemistry: C : nanomaterials and interfaces |
Abbreviated Journal |
J Phys Chem C |
Volume |
117 |
Issue |
25 |
Pages |
13261-13267 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
Abstract |
The influence of triaxial in-plane strain on the electronic properties of a hexagonal boron-nitride sheet is investigated using density functional theory. Different from graphene, the triaxial strain localizes the molecular orbitals of the boron-nitride flake in its center depending on the direction of the applied strain. The proposed technique for localizing the molecular orbitals that are close to the Fermi level in the center of boron nitride flakes can be used to actualize engineered nanosensors, for instance, to selectively detect gas molecules. We show that the central part of the strained flake adsorbs polar molecules more strongly as compared with an unstrained sheet. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Washington, D.C. |
Editor |
|
Language |
|
Wos |
000321236400041 |
Publication Date |
2013-06-03 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1932-7447;1932-7455; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
4.536 |
Times cited |
38 |
Open Access |
|
Notes |
; This work was supported by the EU-Marie Curie IIF postdoc Fellowship/299855 (for M.N.-A.), the ESF EuroGRAPHENE project CONGRAN, the Flemish Science Foundation (FWO-VI), and the Methusalem Funding of the Flemish government. AS. would like to thank the Universiteit Antwerpen for its hospitality. ; |
Approved |
Most recent IF: 4.536; 2013 IF: 4.835 |
Call Number |
UA @ lucian @ c:irua:109829 |
Serial |
249 |
Permanent link to this record |
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|
|
Author |
Li, Y.; Yang, X.-Y.; Tian, G.; Vantomme, A.; Yu, J.; Van Tendeloo, G.; Su, B.-L. |
Title |
Chemistry of trimethyl aluminum: a spontaneous route to thermally stable 3D crystalline macroporous alumina foams with a hierarchy of pore sizes |
Type |
A1 Journal article |
Year |
2010 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
Volume |
22 |
Issue |
10 |
Pages |
3251-3258 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
A simple and spontaneous one-pot self-formation procedure that is easy to scale up has been developed based on the chemistry of trimethylaluminum (TMA), leading to thermally stable macroporous crystalline alumina with a very unique and unprecedented three-dimensional (3D) hierarchical pore structure consisting of well-defined wormlike mesopores. TMA is the precursor of both product and porogene (viz, two working functions within the same molecule (2 in 1)). The materials obtained have been intensively characterized by powder X-ray diffraction (XRD), field-emission scanning electron microscopy (FESEM), high-resolution transmission electron microscopy (HRTEM), N2 adsorption−desorption, and mercury porosimetry. The open cagelike macrocavities are self-constructed by mesoporous nanorods (diameter of ca. 40−70 nm), which are themselves formed by a random assembly of fibrous nanoparticles 5−6 nm in size. Optical microscopy (OM) has been used in situ to follow the synthesis procedure, which led to the proposal of the formation mechanism. Methane molecules as porogens, which were instantaneously released because of the fast hydrolysis of the chemical precursor, were the key factor in producing these 3D structures with uniform co-continuous macropores that interconnected directly with the wormlike mesopores. The important characteristic of this procedure is the concurrent formation of a multiscaled porous network. The material exhibits great thermal stability. The hierarchically mesoporous−macroporous Al2O3 obtained is quite attractive for a myriad of applications, from catalysis to biomedicine. The present work illustrates that the one-pot self-formation concept, based on the chemistry of alkyl metals, is a versatile method to design industrially valuable hierarchically porous materials. |
Address |
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Corporate Author |
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Thesis |
|
Publisher |
|
Place of Publication |
Washington, D.C. |
Editor |
|
Language |
|
Wos |
000277635000030 |
Publication Date |
2010-04-27 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0897-4756;1520-5002; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
9.466 |
Times cited |
38 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 9.466; 2010 IF: 6.400 |
Call Number |
UA @ lucian @ c:irua:82760 |
Serial |
356 |
Permanent link to this record |
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|
|
Author |
Yang, C.H.; Peeters, F.M.; Xu, W. |
Title |
Landau-level broadening due to electron-impurity interaction in graphene in strong magnetic fields |
Type |
A1 Journal article |
Year |
2010 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
82 |
Issue |
7 |
Pages |
075401:1-075401:6 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
The effect of electron-impurity and electron-electron interactions on the energy spectrum of electrons moving in graphene is investigated in the presence of a high magnetic field. We find that the width of the broadened Landau levels exhibits an approximate 1/B dependence near half filling for charged impurity scattering. The Landau-level width, the density of states, and the Fermi energy exhibit an oscillatory behavior as a function of magnetic field. Comparison with experiment shows that scattering with charged impurities cannot be the main scattering mechanism that determines the width of the Landau levels. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
|
Editor |
|
Language |
|
Wos |
000280553700008 |
Publication Date |
2010-08-04 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
38 |
Open Access |
|
Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl), the Belgian Science Policy (IAP), the National Science Foundation of China under Grant No. 10804053, the Foundation of NUIST under Grant No. S8108062001, and the Chinese Academy of Sciences and Department of Science and Technology of Yunnan Province. ; |
Approved |
Most recent IF: 3.836; 2010 IF: 3.774 |
Call Number |
UA @ lucian @ c:irua:84043 |
Serial |
1769 |
Permanent link to this record |
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|
Author |
Salje, E.K.H.; Zhang, H.; Idrissi, H.; Schryvers, D.; Carpenter, M.A.; Moya, X.; Planes, A. |
Title |
Mechanical resonance of the austenite/martensite interface and the pinning of the martensitic microstructures by dislocations in Cu74.08Al23.13Be2.79 |
Type |
A1 Journal article |
Year |
2009 |
Publication |
Physical review: B: condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
80 |
Issue |
13 |
Pages |
134114,1-1134114,8 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
A single crystal of Cu74.08Al23.13Be2.79 undergoes a martensitic phase transition at 246 and 232 K under heating and cooling, respectively. The phase fronts between the austenite and martensite regions of the sample are weakly mobile with a power-law resonance under external stress fields. Surprisingly, the martensite phase is elastically much harder than the austenite phase showing that interfaces between various crystallographic variants are strongly pinned and cannot be moved by external stress while the phase boundary between the austenite and martensite regions in the sample remains mobile. This unusual behavior was studied by dynamical mechanical analysis (DMA) and resonant ultrasound spectroscopy. The remnant strain, storage modulus, and internal friction were recorded simultaneously for different applied forces in DMA. With increasing forces, the remnant strain increases monotonously while the internal friction peak height shows a minimum at 300 mN. Transmission electron microscopy shows that the pinning is generated by dislocations which are inherited from the austenite phase. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Lancaster, Pa |
Editor |
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Language |
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Wos |
000271351300033 |
Publication Date |
2009-10-22 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
38 |
Open Access |
|
Notes |
Multimat |
Approved |
Most recent IF: 3.836; 2009 IF: 3.475 |
Call Number |
UA @ lucian @ c:irua:78542 |
Serial |
1975 |
Permanent link to this record |
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Author |
Ahonen, P.P.; Kauppinen, E.I.; Joubert, J.C.; Deschanvres, J.L.; Van Tendeloo, G. |
Title |
Preparation of nanocrystalline titania powder via aerosol pyrolysis of titanium tetrabutoxide |
Type |
A1 Journal article |
Year |
1999 |
Publication |
Journal of materials research |
Abbreviated Journal |
J Mater Res |
Volume |
14 |
Issue |
10 |
Pages |
3938-3948 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
Nanocrystalline titanium dioxide was prepared via aerosol pyrolysis of titanium alkoxide precursor at 200-580 degrees C in air and in nitrogen atmospheres. Powders were characterized by x-ray diffraction, thermogravimetric analysis, Brunauer-Emmett-Teller analysis, scanning electron microscopy, transmission electron microscopy, energy dispersive spectroscopy, x-ray fluorescence, Raman and infrared spectroscopy, and Berner-type low-pressure impactor. The anatase phase transition was initiated at 500 degrees C in nitrogen and at 580 degrees C in air. Under other conditions amorphous powders were observed and transformed to nanocrystalline TiO2 via thermal postannealing. In air, smooth and spherical particles with 2-4-mu m diameter were formed with an as-expected tendency to convert to rutile in the thermal postannealings. In nitrogen, a fraction of the titanium tetrabutoxide precursor evaporated and formed ultrafine particles via the gas-to-particle conversion. At 500 degrees C thermally stable anatase phase was formed in nitrogen. A specific surface area as high as 280 m(2) g(-1) was observed for an as-prepared powder. |
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 |
000083163700019 |
Publication Date |
2008-03-06 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0884-2914;2044-5326; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.673 |
Times cited |
38 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 1.673; 1999 IF: 1.574 |
Call Number |
UA @ lucian @ c:irua:103485 |
Serial |
2705 |
Permanent link to this record |
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Author |
Novoselov, K.S.; Geim, A.K.; Dubonos, S.V.; Cornelissens, Y.G.; Peeters, F.M.; Maan, J.C. |
Title |
Scattering of ballistic electrons at a mesoscopic spot of strong magnetic field |
Type |
A1 Journal article |
Year |
2002 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
65 |
Issue |
23 |
Pages |
233312-233314 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
We report quenching of the Hall effect with increasing magnetic field confined in a micron-sized spot. Such fields were created by placing tall ferromagnetic pillars on top of a two-dimensional electron gas, which allowed us to achieve the field strength up to 0.4 T under the pillars in the absence of external field. The quenching is accompanied by an anomalous increase in resistance and occurs when the cyclotron diameter matches the size of the magnetic spot. The results are explained by a rapid increase in the number of electrons that are scattered or quasilocalized by the magnetic region. |
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 |
000176767900029 |
Publication Date |
2002-07-27 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0163-1829;1095-3795; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
38 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.836; 2002 IF: NA |
Call Number |
UA @ lucian @ c:irua:103349 |
Serial |
2949 |
Permanent link to this record |
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Author |
Janssens, K.L.; Partoens, B.; Peeters, F.M. |
Title |
Single and vertically coupled type-II quantum dots in a perpendicular magnetic field: exciton ground-state properties |
Type |
A1 Journal article |
Year |
2002 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
66 |
Issue |
7 |
Pages |
075314,1-9 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
|
Address |
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Corporate Author |
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Thesis |
|
Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
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Language |
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Wos |
000177969800106 |
Publication Date |
2002-10-01 |
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 |
|
ISSN |
0163-1829;1095-3795; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
38 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.836; 2002 IF: NA |
Call Number |
UA @ lucian @ c:irua:62430 |
Serial |
3017 |
Permanent link to this record |
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Author |
Pina, J.C.; de Souza Silva, C.C.; Milošević, M.V. |
Title |
Stability of fractional vortex states in a two-band mesoscopic superconductor |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
86 |
Issue |
2 |
Pages |
024512 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
We investigate the stability of noncomposite fractional vortex states in a mesoscopic two-band superconductor within the two-component Ginzburg-Landau model. Our analysis explicitly takes into account the relationship between the model parameters and microscopic material parameters, such as partial density of states, Fermi velocities and elements of the electron-phonon coupling matrix. We have found that states with different phase winding number in each band (L-1 not equal L-2) and fractional flux can exist in many different configurations, including rather unconventional ones where the dominating band carries larger winding number and states where vertical bar L-1 – L-2 vertical bar > 1. We present a detailed analysis of the stability of the observed vortex structures with respect to changing the microscopic parameters, showing that, in the weak coupling case, fractional vortex states can be assessed in essentially the whole range of temperatures and applied magnetic fields in which both bands are active. Finally, we propose an efficient way of increasing the range of parameters for which these fractional vortex states can be stabilized. In particular, our proposal allows for observation of fractional vortex structures in materials with stronger coupling, where those states are forbidden at a homogeneous field. This is accomplished with the help of the stray fields of a suitably prepared magnetic dot placed nearby the superconducting disk. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Lancaster, Pa |
Editor |
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Language |
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Wos |
000306309600006 |
Publication Date |
2012-07-14 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
38 |
Open Access |
|
Notes |
; We thank Eric B. Claude, Miguel A. Zorro, and Rogerio M. da Silva for assistance in the development of the numerical code used in our simulations. This work was supported by the Brazilian science agencies CNPq and FACEPE, by the FACEPE/CNPq-PRONEX program, under Grant No. APQ-0589-1.05/08, and by CNPq-FWO Brazil-Flanders co-operation program. M.V.M. acknowledges support from the CAPES-PVE program. ; |
Approved |
Most recent IF: 3.836; 2012 IF: 3.767 |
Call Number |
UA @ lucian @ c:irua:100766 |
Serial |
3126 |
Permanent link to this record |
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Author |
Szafran, B.; Peeters, F.M.; Bednarek, S. |
Title |
Stark effect on the exciton spectra of vertically coupled quantum dots: horizontal field orientation and nonaligned dots |
Type |
A1 Journal article |
Year |
2007 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
75 |
Issue |
11 |
Pages |
115303,1-7 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
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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 |
Lancaster, Pa |
Editor |
|
Language |
|
Wos |
000245329600070 |
Publication Date |
2007-03-03 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
38 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.836; 2007 IF: 3.172 |
Call Number |
UA @ lucian @ c:irua:64292 |
Serial |
3149 |
Permanent link to this record |
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|
|
Author |
Michel, K.H.; Verberck, B. |
Title |
Theory of rigid-plane phonon modes in layered crystals |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
85 |
Issue |
9 |
Pages |
094303-094303,11 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
The lattice dynamics of low-frequency rigid-plane modes in metallic (graphene multilayers, GML) and in insulating (hexagonal boron-nitride multilayers, BNML) layered crystals is investigated. The frequencies of shearing and compression (stretching) modes depend on the layer number N and are presented in the form of fan diagrams. The results for GML and BNML are very similar. In both cases, only the interactions (van der Waals and Coulomb) between nearest-neighbor planes are effective, while the interactions between more distant planes are screened. A comparison with recent Raman scattering results on low-frequency shear modes in GML [Tan et al., Nat. Mater., in press, doi: 10.1038/nmat3245, (2012)] is made. Relations with the low-lying rigid-plane phonon dispersions in the bulk materials are established. Master curves, which connect the fan diagram frequencies for any given N, are derived. Static and dynamic thermal correlation functions for rigid-layer shear and compression modes are calculated. The results might be of use for the interpretation of friction force experiments on multilayer crystals. |
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 |
000301646000006 |
Publication Date |
2012-03-19 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
38 |
Open Access |
|
Notes |
; The authors are indebted to J. Maultzsch for bringing Ref. 20 to their attention. They thank D. Lamoen, F.M. Peeters, B. Trauzettel, and C. Van Haesendonck for useful discussions. This work has been financially supported by the Research Foundation Flanders (FWO). ; |
Approved |
Most recent IF: 3.836; 2012 IF: 3.767 |
Call Number |
UA @ lucian @ c:irua:97787 |
Serial |
3619 |
Permanent link to this record |
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Author |
Chemchuen, S.; Zhou, K.; Kabir, N.A.; Chen, Y.; Ke, X.; Van Tendeloo, G.; Verpoort, F. |
Title |
Tuning metal sites of DABCO MOF for gas purification at ambient conditions |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Microporous and mesoporous materials: zeolites, clays, carbons and related materials |
Abbreviated Journal |
Micropor Mesopor Mat |
Volume |
201 |
Issue |
201 |
Pages |
277-285 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
Abstract |
Metalorganic frameworks (MOFs) have emerged as new porous materials for capture and separation of binary gas mixtures. Tuning the metal sites in MOF structures has an impact on properties, which enhance affinity of gas adsorption and selectivity (e.g., surface area, cavity, electric field, etc.). The synthesis and characterization of a M-DABCO series (M = Ni, Co, Cu, Zn) of MOFs are described in this study. The experiments were conducted using multicomponent gas mixtures and the Ideal Adsorbed Solution Theory (IAST) was applied to determine the CO2/CH4 selectivity. Experimental adsorption isotherms were fitted with a model equation to evaluate the characteristic adsorption energy (Isosteric, Qst) of this series. The Ni metal in the M-DABCO series reveals the best performance concerning CO2 adsorption and CH4/CO2 selectivity at ambient conditions based on IAST calculations. The combination of characterizations, calculations and adsorption experiments were used to discuss the metal impact on the adsorption sites in the M-DABCO series at ambient conditions. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Amsterdam |
Editor |
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Language |
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Wos |
000345185200030 |
Publication Date |
2014-09-20 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1387-1811; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.615 |
Times cited |
38 |
Open Access |
|
Notes |
246791-Countatoms |
Approved |
Most recent IF: 3.615; 2015 IF: 3.453 |
Call Number |
c:irua:120473 |
Serial |
3748 |
Permanent link to this record |
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Author |
Michel, K.H.; Costamagna; Peeters, F.M. |
Title |
Theory of anharmonic phonons in two-dimensional crystals |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
91 |
Issue |
91 |
Pages |
134302 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Anharmonic effects in an atomic monolayer thin crystal with honeycomb lattice structure are investigated by analytical and numerical lattice dynamical methods. Starting from a semiempirical model for anharmonic couplings of third and fourth orders, we study the in-plane and out-of-plane (flexural) mode components of the generalized wave vector dependent Gruneisen parameters, the thermal tension and the thermal expansion coefficients as a function of temperature and crystal size. From the resonances of the displacement-displacement correlation functions, we obtain the renormalization and decay rate of in-plane and flexural phonons as a function of temperature, wave vector, and crystal size in the classical and in the quantum regime. Quantitative results are presented for graphene. There, we find that the transition temperature T-alpha from negative to positive thermal expansion is lowered with smaller system size. Renormalization of the flexural mode has the opposite effect and leads to values of T-alpha approximate to 300 K for systems of macroscopic size. Extensive numerical analysis throughout the Brillouin zone explores various decay and scattering channels. The relative importance of normal and umklapp processes is investigated. The work is complementary to crystalline membrane theory and computational studies of anharmonic effects in two-dimensional crystals. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Lancaster, Pa |
Editor |
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Language |
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Wos |
000353031000001 |
Publication Date |
2015-04-17 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1098-0121; 1550-235x |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
38 |
Open Access |
|
Notes |
; We thank B. Verberck, D. Lamoen, and A. Dobry for useful comments. We acknowledge funding from the FWO (Belgium)-MINCyT (Argentina) collaborative research project. This work is supported by the EuroGRAPHENE project CONGRAN. ; |
Approved |
Most recent IF: 3.836; 2015 IF: 3.736 |
Call Number |
UA @ lucian @ c:irua:132512 |
Serial |
4263 |
Permanent link to this record |
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Author |
Turner, S.; Shenderova, O.; da Pieve, F.; Lu, Y.-G.; Yücelen, E.; Verbeeck, J.; Lamoen, D.; Van Tendeloo, G. |
Title |
Aberration-corrected microscopy and spectroscopy analysis of pristine, nitrogen containing detonation nanodiamond |
Type |
A1 Journal article |
Year |
2013 |
Publication |
Physica status solidi : A : applications and materials science |
Abbreviated Journal |
Phys Status Solidi A |
Volume |
210 |
Issue |
10 |
Pages |
1976-1984 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
Aberration-corrected transmission electron microscopy, electron energy-loss spectroscopy, and density functional theory (DFT) calculations are used to solve several key questions about the surface structure, the particle morphology, and the distribution and nature of nitrogen impurities in detonation nanodiamond (DND) cleaned by a recently developed ozone treatment. All microscopy and spectroscopy measurements are performed at a lowered acceleration voltage (80/120kV), allowing prolonged and detailed experiments to be carried out while minimizing the risk of knock-on damage or surface graphitization of the nanodiamond. High-resolution TEM (HRTEM) demonstrates the stability of even the smallest nanodiamonds under electron illumination at low voltage and is used to image the surface structure of pristine DND. High resolution electron energy-loss spectroscopy (EELS) measurements on the fine structure of the carbon K-edge of nanodiamond demonstrate that the typical * pre-peak in fact consists of three sub-peaks that arise from the presence of, amongst others, minimal fullerene-like reconstructions at the nanoparticle surfaces and deviations from perfect sp(3) coordination at defects in the nanodiamonds. Spatially resolved EELS experiments evidence the presence of nitrogen within the core of DND particles. The nitrogen is present throughout the whole diamond core, and can be enriched at defect regions. By comparing the fine structure of the experimental nitrogen K-edge with calculated energy-loss near-edge structure (ELNES) spectra from DFT, the embedded nitrogen is most likely related to small amounts of single substitutional and/or A-center nitrogen, combined with larger nitrogen clusters. |
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 |
000329299700025 |
Publication Date |
2013-10-18 |
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 |
|
ISSN |
1862-6300; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.775 |
Times cited |
37 |
Open Access |
|
Notes |
262348 ESMI; 246791 COUNTATOMS; FWO; Hercules; GOA XANES meets ELNES |
Approved |
Most recent IF: 1.775; 2013 IF: 1.525 |
Call Number |
UA @ lucian @ c:irua:110821UA @ admin @ c:irua:110821 |
Serial |
41 |
Permanent link to this record |
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Author |
Piacente, G.; Hai, G.Q.; Peeters, F.M. |
Title |
Continuous structural transitions in quasi-one-dimensional classical Wigner crystals |
Type |
A1 Journal article |
Year |
2010 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
81 |
Issue |
2 |
Pages |
|
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
We study the structural phase transitions in confined systems of strongly interacting particles. We consider infinite quasi-one-dimensional systems with different pairwise repulsive interactions in the presence of an external confinement following a power law. Within the framework of Landaus theory, we find the necessary conditions to observe continuous transitions and demonstrate that the only allowed continuous transition is between the single- and the double-chain configurations and that it only takes place when the confinement is parabolic. We determine analytically the behavior of the system at the transition point and calculate the critical exponents. Furthermore, we perform Monte Carlo simulations and find a perfect agreement between theory and numerics. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Lancaster, Pa |
Editor |
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Language |
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Wos |
000274002100035 |
Publication Date |
2010-01-19 |
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 |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
37 |
Open Access |
|
Notes |
; The authors acknowledge FAPESP and CNPq (Brazil), the Belgian Science Policy (IAP) and the Flemish Science Foundation (FWO-Vl) (Belgium) for financial support. ; |
Approved |
Most recent IF: 3.836; 2010 IF: 3.774 |
Call Number |
UA @ lucian @ c:irua:81243 |
Serial |
493 |
Permanent link to this record |
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Author |
Backes, W.H.; Peeters, F.M.; Brosens, F.; Devreese, J.T. |
Title |
Dispersion of longitudinal plasmons for a quasi-two-dimensional electron gas |
Type |
A1 Journal article |
Year |
1992 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
45 |
Issue |
15 |
Pages |
8437-8442 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems |
Abstract |
Confinement of electrons in ultrathin metallic films leads to subbands. By increasing the thickness of the electron layer, the subbands will dissolve into a quasicontinuum, with the number of electrons per unit volume kept constant. Within the random-phase approximation, the two-dimensional plasmon, which originally follows Stern's dispersion relation, becomes a longitudinal surface plasmon. The plasmon excitations of a model metallic film are investigated by including all subbands. Single-particle excitations, which exhibit the depolarization shift, converge into the plasma excitation spectrum. With further increases in the film thickness, the bulk plasmon arises and the surface plasmon remains. Our analysis shows how quantum size effects evolve into hydrodynamical classical size effects with increasing thickness of the film. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Lancaster, Pa |
Editor |
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Language |
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Wos |
A1992HR33600028 |
Publication Date |
2002-07-27 |
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 |
0163-1829;1095-3795; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.736 |
Times cited |
37 |
Open Access |
|
Notes |
|
Approved |
no |
Call Number |
UA @ lucian @ c:irua:2738 |
Serial |
737 |
Permanent link to this record |