Records |
Author |
Ghosh, S.; Tongay, S.; Hebard, A.F.; Sahin, H.; Peeters, F.M. |
Title |
Ferromagnetism in stacked bilayers of Pd/C60 |
Type |
A1 Journal article |
Year |
2014 |
Publication |
Journal of magnetism and magnetic materials |
Abbreviated Journal |
J Magn Magn Mater |
Volume |
349 |
Issue |
|
Pages |
128-134 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
We provide experimental evidence for the existence of ferromagnetism in bilayers of Pd/C-60 which is supported by theoretical calculations based on density functional theory (DFT). The observed ferromagnetism is surprising as C-60 and Pd films are both non-ferromagnetic in the non-interacting limit. Magnetization (M) versus applied field (H) data acquired at different temperatures (T) show magnetic hysteresis with typical coercive fields (H-c) on the order of 50 Oe. From the temperature-dependent magnetization M(T) we extract a Curie temperature (T-c >= 550 K) using Bloch-like power law extrapolations to high temperatures. Using DFT calculations we investigated all plausible scenarios for the interaction between the C-60 molecules and the Pd slabs, Pd single atoms and Pd clusters. DFT shows that while the C-60 molecules are nonmagnetic, Pd films have a degenerate ground state that subject to a weak perturbation, can become ferromagnetic. Calculations also show that the interaction of C-60 molecules with excess Pd atoms and with sharp edges of a Pd slab is the most likely configuration that render the system ferromagnetic Interestingly, the calculated charge transfer (0.016 e per surface Pd atom, 0.064 e per Pd for intimate contact region) between C-60 and Pd does not appear to play an important role. (C) 2013 Elsevier B.V. All rights reserved. |
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 |
|
Language |
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Wos |
000326037600022 |
Publication Date |
2013-08-02 |
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 |
0304-8853; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.63 |
Times cited |
8 |
Open Access |
|
Notes |
; We thank Prof. Amlan Biswas and Daniel Grant for Atomic Force Microscopy measurements. This work is supported by the National Science Foundation (NSF) under Contract Number 1005301 (AFH). The authors also thank S. Ciraci for fruitful discussions. All the computational resources have been provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). H. Sahin is also supported by a FWO Pegasus Marie Curie Long Fellowship during the study. ; |
Approved |
Most recent IF: 2.63; 2014 IF: 1.970 |
Call Number |
UA @ lucian @ c:irua:112214 |
Serial |
1184 |
Permanent link to this record |
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Author |
Ozaydin, H.D.; Sahin, H.; Senger, R.T.; Peeters, F.M. |
Title |
Formation and diffusion characteristics of Pt clusters on Graphene, 1H-MoS2 and 1T-TaS2 |
Type |
A1 Journal article |
Year |
2014 |
Publication |
Annalen der Physik |
Abbreviated Journal |
Ann Phys-Berlin |
Volume |
526 |
Issue |
9-10 |
Pages |
423-429 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Many experiments have revealed that the surfaces of graphene and graphene-like structures can play an active role as a host surface for clusterization of transition metal atoms. Motivated by these observations, we investigate theoretically the adsorption, diffusion and magnetic properties of Pt clusters on three different two-dimensional atomic crystals using first principles density functional theory. We found that monolayers of graphene, molybdenum disulfide (1H-MoS2) and tantalum disulfide (1T-TaS2) provide different nucleation characteristics for Pt cluster formation. At low temperatures, while the bridge site is the most favorable site where the growth of a Pt cluster starts on graphene, top-Mo and top-Ta sites are preferred on 1H-MoS2 and 1T-TaS2, respectively. Ground state structures and magnetic properties of Pt-n clusters (n= 2,3,4) on three different monolayer crystal structures are obtained. We found that the formation of Pt-2 dimer and a triangle-shaped Pt-3 cluster perpendicular to the surface are favored over the three different surfaces. While bent rhombus shaped Pt-4 is formed on graphene, the formation of tetrahedral shaped clusters are more favorable on 1H-MoS2 and 1T-TaS2. Our study of the formation of Pt-n clusters on three different monolayers provides a gateway for further exploration of nanocluster formations on various surfaces. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Leipzig |
Editor |
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Language |
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Wos |
000343873700015 |
Publication Date |
2014-06-16 |
Series Editor |
|
Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0003-3804; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.039 |
Times cited |
10 |
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). H.S. is supported by a FWO Pegasus Long Marie Curie Fellowship. ; |
Approved |
Most recent IF: 3.039; 2014 IF: 3.048 |
Call Number |
UA @ lucian @ c:irua:121180 |
Serial |
1247 |
Permanent link to this record |
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|
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Author |
Horzum, S.; Çakir, D.; Suh, J.; Tongay, S.; Huang, Y.-S.; Ho, C.-H.; Wu, J.; Sahin, H.; Peeters, F.M. |
Title |
Formation and stability of point defects in monolayer rhenium disulfide |
Type |
A1 Journal article |
Year |
2014 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
89 |
Issue |
15 |
Pages |
155433 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Recently, rhenium disulfide (ReS2) monolayers were experimentally extracted by conventional mechanical exfoliation technique from as-grown ReS2 crystals. Unlike the well-known members of transition metal dichalcogenides (TMDs), ReS2 crystallizes in a stable distorted-1T structure and lacks an indirect to direct gap crossover. Here we present an experimental and theoretical study of the formation, energetics, and stability of the most prominent lattice defects in monolayer ReS2. Experimentally, irradiation with 3-MeV He+2 ions was used to break the strong covalent bonds in ReS2 flakes. Photoluminescence measurements showed that the luminescence from monolayers is mostly unchanged after highly energetic a particle irradiation. In order to understand the energetics of possible vacancies in ReS2 we performed systematic first-principles calculations. Our calculations revealed that the formation of a single sulfur vacancy has the lowest formation energy in both Re and S rich conditions and a random distribution of such defects are energetically more preferable. Sulfur point defects do not result in any spin polarization whereas the creation of Re-containing point defects induce magnetization with a net magnetic moment of 1-3 mu B. Experimentally observed easy formation of sulfur vacancies is in good agreement with first-principles calculations. |
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 |
000337301200009 |
Publication Date |
2014-04-28 |
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 |
130 |
Open Access |
|
Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl), the bilateral project FWO-TUBITAK, and the Methusalem Foundation of the Flemish government. Computational resources were provided by TUBITAK ULAK-BIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). H. S. was supported by a FWO Pegasus Long Marie Curie Fellowship. D. C. was 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:118410 |
Serial |
1250 |
Permanent link to this record |
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Author |
Galvan-Moya, J.E.; Misko, V.R.; Peeters, F.M. |
Title |
Generic ordering of structural transitions in quasi-one-dimensional Wigner crystals |
Type |
A1 Journal article |
Year |
2014 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
90 |
Issue |
9 |
Pages |
094111 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
We investigate the dependence of the structural phase transitions in an infinite quasi-one-dimensional system of repulsively interacting particles on the profile of the confining channel. Three different functional expressions for the confinement potential related to real experimental systems are used that can be tuned continuously from a parabolic to a hard-wall potential in order to find a thorough understanding of the ordering of the chainlike structure transitions. We resolve the long-standing issue why the most theories predicted a 1-2-4-3-4 sequence of chain configurations with increasing density, while some experiments found the 1-2-3-4 sequence. |
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 |
000342127000001 |
Publication Date |
2014-09-17 |
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 |
9 |
Open Access |
|
Notes |
; This work was supported by the Flemish Science Foundation (FWO-VI) and the Odysseus and Methusalem programmes of the Flemish government. Computational resources were provided by HPC infrastructure of the University of Antwerp (CalcUA), a division of the Flemish Supercomputer Center (VSC). ; |
Approved |
Most recent IF: 3.836; 2014 IF: 3.736 |
Call Number |
UA @ lucian @ c:irua:119904 |
Serial |
1326 |
Permanent link to this record |
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Author |
da Costa, D.R.; Chaves, A.; Zarenia, M.; Pereira, J.M.; Farias, G.A.; Peeters, F.M. |
Title |
Geometry and edge effects on the energy levels of graphene quantum rings : a comparison between tight-binding and simplified Dirac models |
Type |
A1 Journal article |
Year |
2014 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
89 |
Issue |
7 |
Pages |
075418-12 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
We present a systematic study of the energy spectra of graphene quantum rings having different geometries and edge types in the presence of a perpendicular magnetic field. Results are obtained within the tight-binding (TB) and Dirac models and we discuss which features of the former can be recovered by using the approximations imposed by the latter. Energy levels of graphene quantum rings obtained by diagonalizing the TB Hamiltonian are demonstrated to be strongly dependent on the rings geometry and the microscopical structure of the edges. This makes it difficult to recover those spectra by the existing theories that are based on the continuum (Dirac) model. Nevertheless, our results show that both approaches (i.e., TB and Dirac model) may provide similar results, but only for very specific combinations of ring geometry and edge types. The results obtained by a simplified model describing an infinitely thin circular Dirac ring show good agreement with those obtained for hexagonal and rhombus armchair graphene rings within the TB model. Moreover, we show that the energy levels of a circular quantum ring with an infinite mass boundary condition obtained within the Dirac model agree with those for a ring defined by a ring-shaped staggered potential obtained within the TB model. |
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 |
000332390000009 |
Publication Date |
2014-02-18 |
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 |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
56 |
Open Access |
|
Notes |
; This work was financially supported by CNPq, under Contract NanoBioEstruturas 555183/2005-0, PRONEX/FUNCAP, CAPES Foundation under the process number BEX 7178/13-1, the Bilateral programme between CNPq and the Flemish Science Foundation (FWO-Vl), and the Brazilian Program Science Without Borders (CsF). ; |
Approved |
Most recent IF: 3.836; 2014 IF: 3.736 |
Call Number |
UA @ lucian @ c:irua:115823 |
Serial |
1328 |
Permanent link to this record |
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Author |
Neek-Amal, M.; Peeters, F.M. |
Title |
Graphene on boron-nitride : Moiré pattern in the van der Waals energy |
Type |
A1 Journal article |
Year |
2014 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
Volume |
104 |
Issue |
4 |
Pages |
041909-4 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
The spatial dependence of the van der Waals (vdW) energy between graphene and hexagonal boron-nitride (h-BN) is investigated using atomistic simulations. The van der Waals energy between graphene and h-BN shows a hexagonal superlattice structure identical to the observed Moire pattern in the local density of states, which depends on the lattice mismatch and misorientation angle between graphene and h-BN. Our results provide atomistic features of the weak van der Waals interaction between graphene and BN which are in agreement with experiment and provide an analytical expression for the size of the spatial variation of the weak van der Waals interaction. We also found that the A-B-lattice symmetry of graphene is broken along the armchair direction. (C) 2014 AIP Publishing LLC. |
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 |
000331209900028 |
Publication Date |
2014-01-31 |
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 |
0003-6951;1077-3118; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.411 |
Times cited |
61 |
Open Access |
|
Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem Foundation of the Flemish Government. M.N.-A was supported by the EU-Marie Curie IIF postdoctoral Fellowship/299855. ; |
Approved |
Most recent IF: 3.411; 2014 IF: 3.302 |
Call Number |
UA @ lucian @ c:irua:115802 |
Serial |
1374 |
Permanent link to this record |
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Author |
Neek-Amal, M.; Peeters, F.M. |
Title |
Graphene on hexagonal lattice substrate : stress and pseudo-magnetic field |
Type |
A1 Journal article |
Year |
2014 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
Volume |
104 |
Issue |
17 |
Pages |
173106 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Moire patterns in the pseudo-magnetic field and in the strain profile of graphene (GE) when put on top of a hexagonal lattice substrate are predicted from elasticity theory. The van der Waals interaction between GE and the substrate induces out-of-plane deformations in graphene which results in a strain field, and consequently in a pseudo-magnetic field. When the misorientation angle is about 0.5 degrees, a three-fold symmetric strain field is realized that results in a pseudo-magnetic field very similar to the one proposed by F. Guinea, M. I. Katsnelson, and A. K. Geim [Nature Phys. 6, 30 (2010)]. Our results show that the periodicity and length of the pseudo-magnetic field can be tuned in GE by changing the misorientation angle and substrate adhesion parameters and a considerable energy gap (23 meV) can be obtained due to out-of-plane deformation of graphene which is in the range of recent experimental measurements (20-30 meV). (C) 2014 AIP Publishing LLC. |
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 |
000336142500066 |
Publication Date |
2014-05-02 |
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 |
0003-6951;1077-3118; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.411 |
Times cited |
14 |
Open Access |
|
Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem Foundation of the Flemish Government. M.N.-A. was supported by the EU-Marie Curie IIF postdoc Fellowship 299855. ; |
Approved |
Most recent IF: 3.411; 2014 IF: 3.302 |
Call Number |
UA @ lucian @ c:irua:117724 |
Serial |
1375 |
Permanent link to this record |
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Author |
Verreck, D.; Verhulst, A.S.; Sorée, B.; Collaert, N.; Mocuta, A.; Thean, A.; Groeseneken, G. |
Title |
Improved source design for p-type tunnel field-effect transistors : towards truly complementary logic |
Type |
A1 Journal article |
Year |
2014 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
Volume |
105 |
Issue |
24 |
Pages |
243506 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Complementary logic based on tunnel field-effect transistors (TFETs) would drastically reduce power consumption thanks to the TFET's potential to obtain a sub-60 mV/dec subthreshold swing (SS). However, p-type TFETs typically do not meet the performance of n-TFETs for direct bandgap III-V configurations. The p-TFET SS stays well above 60 mV/dec, due to the low density of states in the conduction band. We therefore propose a source configuration in which a highly doped region is maintained only near the tunnel junction. In the remaining part of the source, the hot carriers in the exponential tail of the Fermi-Dirac distribution are blocked by reducing the doping degeneracy, either with a source section with a lower doping concentration or with a heterostructure. We apply this concept to n-p-i-p configurations consisting of In0.53Ga0.47As and an InP-InAs heterostructure. 15-band quantum mechanical simulations predict that the configurations with our source design can obtain sub-60 mV/dec SS, with an on-current comparable to the conventional source design. (C) 2014 AIP Publishing LLC. |
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 |
000346643600076 |
Publication Date |
2014-12-17 |
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 |
0003-6951;1077-3118; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.411 |
Times cited |
10 |
Open Access |
|
Notes |
; D. Verreck acknowledges the support of a Ph.D. stipend from the Institute for the Promotion of Innovation through Science and Technology in Flanders (IWT-Vlaanderen). This work was supported by imec's Industrial Affiliation Program. ; |
Approved |
Most recent IF: 3.411; 2014 IF: 3.302 |
Call Number |
UA @ lucian @ c:irua:122798 |
Serial |
1568 |
Permanent link to this record |
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Author |
Berdiyorov, G.R.; Peeters, F.M. |
Title |
Influence of vacancy defects on the thermal stability of silicene: a reactive molecular dynamics study |
Type |
A1 Journal article |
Year |
2014 |
Publication |
RSC advances |
Abbreviated Journal |
Rsc Adv |
Volume |
4 |
Issue |
3 |
Pages |
1133-1137 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
The effect of vacancy defects on the structural properties and the thermal stability of free standing silicene – a buckled structure of hexagonally arranged silicon atoms – is studied using reactive molecular dynamics simulations. Pristine silicene is found to be stable up to 1500 K, above which the system transits to a three-dimensional amorphous configuration. Vacancy defects result in local structural changes in the system and considerably reduce the thermal stability of silicene: depending on the size of the vacancy defect, the critical temperature decreases by more than 30%. However, the system is still found to be stable well above room temperature within our simulation time of 500 ps. We found that the, stability of silicene can be increased by saturating the dangling bonds at the defect edges by foreign atoms (e.g., hydrogen). |
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 |
000327868400015 |
Publication Date |
2013-11-06 |
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 |
2046-2069; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.108 |
Times cited |
62 |
Open Access |
|
Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem Foundation of the Flemish Government. The authors are grateful to Prof. Adri van Duin for his support with the ReaxFF force field. ; |
Approved |
Most recent IF: 3.108; 2014 IF: 3.840 |
Call Number |
UA @ lucian @ c:irua:112829 |
Serial |
1658 |
Permanent link to this record |
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Author |
Xiao, Y.M.; Xu, W.; Peeters, F.M. |
Title |
Infrared to terahertz absorption window in mono- and multi-layer graphene systems |
Type |
A1 Journal article |
Year |
2014 |
Publication |
Optics communications |
Abbreviated Journal |
Opt Commun |
Volume |
328 |
Issue |
|
Pages |
135-142 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
We present a theoretical study on optical properties such as optical conductance and light transmission coefficient for mono- and multi-layer graphene systems with AB- and ABC-stacking. Considering an air/graphene/dielectric-water structure, the optical coefficients for those graphene systems are examined and compared. The universal optical conductance sigma(N)(0)=N pi e(2)/(2h) for N layer graphene systems in the visible region is verified. For N 3 layer graphene, the mini-gap induced absorption edges can be observed in odd layers AB-stacked multilayer graphene, where the number and position of the absorption edges are decided by the layers number N. Meanwhile, we can observe the optical absorption windows for those graphene systems in the infrared to terahertz bandwidth (0.2-150 THz). The absorption window is induced by different transition energies required for inter- and intra-band optical absorption channels. We find that the depth and width of the absorption window can be tuned not only via varying temperature and electron density but also by changing the number of graphene layers and the stacking order. These theoretical findings demonstrate that mono- and multi-layer graphene systems can be applied as frequency tunable optoelectronic devices working in infrared to terahertz bandwidth. (C) 2014 Elsevier B.V. All rights reserved. |
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 |
000336970000022 |
Publication Date |
2014-05-14 |
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 |
0030-4018; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.588 |
Times cited |
7 |
Open Access |
|
Notes |
; This work was supported by the Ministry of Science and Technology of China (Grant no, 2011YQ130018), Department of Science and Technology of Yunnan Province, and by the Chinese Academy of Sciences. ; |
Approved |
Most recent IF: 1.588; 2014 IF: 1.449 |
Call Number |
UA @ lucian @ c:irua:118364 |
Serial |
1666 |
Permanent link to this record |
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Author |
Smets, Q.; Verreck, D.; Verhulst, A.S.; Rooyackers, R.; Merckling, C.; Van De Put, M.; Simoen, E.; Vandervorst, W.; Collaert, N.; Thean, V.Y.; Sorée, B.; Groeseneken, G.; Heyns, M.M.; |
Title |
InGaAs tunnel diodes for the calibration of semi-classical and quantum mechanical band-to-band tunneling models |
Type |
A1 Journal article |
Year |
2014 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
Volume |
115 |
Issue |
18 |
Pages |
184503-184509 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Promising predictions are made for III-V tunnel-field-effect transistor (FET), but there is still uncertainty on the parameters used in the band-to-band tunneling models. Therefore, two simulators are calibrated in this paper; the first one uses a semi-classical tunneling model based on Kane's formalism, and the second one is a quantum mechanical simulator implemented with an envelope function formalism. The calibration is done for In0.53Ga0.47As using several p+/intrinsic/n+ diodes with different intrinsic region thicknesses. The dopant profile is determined by SIMS and capacitance-voltage measurements. Error bars are used based on statistical and systematic uncertainties in the measurement techniques. The obtained parameters are in close agreement with theoretically predicted values and validate the semi-classical and quantum mechanical models. Finally, the models are applied to predict the input characteristics of In0.53Ga0.47As n- and p-lineTFET, with the n-lineTFET showing competitive performance compared to MOSFET. |
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 |
|
Language |
|
Wos |
000336919400048 |
Publication Date |
2014-05-14 |
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 |
0021-8979;1089-7550; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.068 |
Times cited |
34 |
Open Access |
|
Notes |
; Quentin Smets and Devin Verreck gratefully acknowledge the support of a Ph. D. stipend from IWT-Vlaanderen. This work was supported by imec's industrial affiliation program. The authors thank Kim Baumans, Johan Feyaerts, Johan De Cooman, Alireza Alian, and Jos Moonens for their support in process development; Bastien Douhard and Joris Delmotte for SIMS characterization; Alain Moussa for AFM characterization; Joris Van Laer and Tom Daenen for their support in electrical characterization; Kuo-Hsing Kao, Mehbuba Tanzid, and Ali Pourghaderi for their support in modeling. ; |
Approved |
Most recent IF: 2.068; 2014 IF: 2.183 |
Call Number |
UA @ lucian @ c:irua:118009 |
Serial |
1667 |
Permanent link to this record |
|
|
|
Author |
Shakouri, K.; Vasilopoulos, P.; Vargiamidis, V.; Peeters, F.M. |
Title |
Integer and half-integer quantum Hall effect in silicene: Influence of an external electric field and impurities |
Type |
A1 Journal article |
Year |
2014 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
90 |
Issue |
23 |
Pages |
235423 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
The influence of silicene's strong spin-orbit interaction and of an external electric field E-z on the transport coefficients are investigated in the presence of a perpendicular magnetic field B. For finite E-z the spin and valley degeneracy of the Landau levels is lifted and leads to additional plateaus in the Hall conductivity, at half-integer values of 4e(2)/h, due to spin intra-Landau-level transitions that are absent in graphene. These plateaus are more sensitive to disorder and thermal broadening than the main plateaus, occurring at integral values of 4e(2)/h, when the Fermi level passes through the Landau levels. We also evaluate the Hall and longitudinal resistivities and critically contrast the results with those for graphene on a substrate. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
|
Editor |
|
Language |
|
Wos |
000346377400004 |
Publication Date |
2014-12-15 |
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 |
32 |
Open Access |
|
Notes |
; Our work was supported by the Flemish Science Foundation (FWO-VI), the Methusalem Foundation of the Flemish Government, and the Canadian NSERC Grant No. OGP0121756. ; |
Approved |
Most recent IF: 3.836; 2014 IF: 3.736 |
Call Number |
UA @ lucian @ c:irua:122771 |
Serial |
1678 |
Permanent link to this record |
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|
|
Author |
Čukarić, N.A.; Tadić, M.Z.; Partoens, B.; Peeters, F.M. |
Title |
The interband optical absorption in silicon quantum wells : application of the 30-band k . p model |
Type |
A1 Journal article |
Year |
2014 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
Volume |
104 |
Issue |
24 |
Pages |
242103 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
The interband optical absorption in Si/SiO2 quantum wells is calculated as function of the well width (W) and the evolution from an indirect to a direct gap material as function of the well width is investigated. In order to compute the electron states in the conduction band, the 30-band k . p model is employed, whereas the 6-band Luttinger-Kohn model is used for the hole states. We found that the effective direct band gap in the quantum well agrees very well with the W-2 scaling result of the single-band model. The interband matrix elements for linear polarized light oscillate with the quantum well width, which agrees qualitatively with a single band calculation. Our theoretical results indicate that the absorption can be maximized by a proper choice of the well width. However, the obtained absorption coefficients are at least an order of magnitude smaller than for a typical direct semiconductor even for a well width of 2 nm. (C) 2014 AIP Publishing LLC. |
Address |
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Corporate Author |
|
Thesis |
|
Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
000337915000033 |
Publication Date |
2014-06-18 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0003-6951;1077-3118; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.411 |
Times cited |
1 |
Open Access |
|
Notes |
; This work was supported by the Ministry of Education, Science, and Technological Development of Serbia, the Flemish fund for Scientific Research (FWO-Vl), and the Methusalem programme of the Flemish government. ; |
Approved |
Most recent IF: 3.411; 2014 IF: 3.302 |
Call Number |
UA @ lucian @ c:irua:118448 |
Serial |
1689 |
Permanent link to this record |
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|
Author |
Milovanović, S.P.; Masir, M.R.; Peeters, F.M. |
Title |
Interplay between snake and quantum edge states in a graphene Hall bar with a pn-junction |
Type |
A1 Journal article |
Year |
2014 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
Volume |
105 |
Issue |
12 |
Pages |
123507 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
The magneto- and Hall resistance of a locally gated cross shaped graphene Hall bar is calculated. The edge of the top gate is placed diagonally across the center of the Hall cross. Four-probe resistance is calculated using the Landauer-Büttiker formalism, while the transmission coefficients are obtained using the non-equilibrium Green's function approach. The interplay between transport due to edge channels and snake states is investigated. When two edge channels are occupied, we predict oscillations in the Hall and the bend resistance as function of the magnetic field, which are a consequence of quantum interference between the occupied snake states. |
Address |
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Corporate Author |
|
Thesis |
|
Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
000343004400090 |
Publication Date |
2014-09-27 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0003-6951;1077-3118; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.411 |
Times cited |
18 |
Open Access |
|
Notes |
This work was supported by the Flemish Science Foundation (FWO-Vl), the European Science Foundation (ESF) under the EUROCORES Program EuroGRAPHENE within the project CONGRAN and the Methusalem Foundation of the Flemish government. |
Approved |
Most recent IF: 3.411; 2014 IF: 3.302 |
Call Number |
UA @ lucian @ c:irua:121119 |
Serial |
1704 |
Permanent link to this record |
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|
|
Author |
Duarte-Neto, P.; Stosic, T.; Stosic, B.; Lessa, R.; Milošević, M.V. |
Title |
Interplay of model ingredients affecting aggregate shape plasticity in diffusion-limited aggregation |
Type |
A1 Journal article |
Year |
2014 |
Publication |
Physical review : E : statistical, nonlinear, and soft matter physics |
Abbreviated Journal |
Phys Rev E |
Volume |
90 |
Issue |
1 |
Pages |
012312 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
We analyze the combined effect of three ingredients of an aggregation model-surface tension, particle flow and particle source-representing typical characteristics of many aggregation growth processes in nature. Through extensive numerical experiments and for different underlying lattice structures we demonstrate that the location of incoming particles and their preferential direction of flow can significantly affect the resulting general shape of the aggregate, while the surface tension controls the surface roughness. Combining all three ingredients increases the aggregate shape plasticity, yielding a wider spectrum of shapes as compared to earlier works that analyzed these ingredients separately. Our results indicate that the considered combination of effects is fundamental for modeling the polymorphic growth of a wide variety of structures in confined geometries and/or in the presence of external fields, such as rocks, crystals, corals, and biominerals. |
Address |
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Corporate Author |
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Thesis |
|
Publisher |
American Institute of Physics |
Place of Publication |
Woodbury (NY) |
Editor |
|
Language |
|
Wos |
000341245400009 |
Publication Date |
2014-07-31 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1539-3755;1550-2376; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.366 |
Times cited |
3 |
Open Access |
|
Notes |
; This work was supported by CNPq, Brazil (Projects No. 201506/2011-4, No. 303251 /2010-7, and No. 306719/2012-6). M.V.M. acknowledges support from Flemish Science Foundation (FWO-Vlaanderen) and CAPES PVE action No. BEX1392/11-5. The crystal structure appearing in Fig. 11 was provided courtesy of L. dos Santos, UFPE, Brazil. ; |
Approved |
Most recent IF: 2.366; 2014 IF: 2.288 |
Call Number |
UA @ lucian @ c:irua:119267 |
Serial |
1708 |
Permanent link to this record |
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|
|
Author |
Milovanović, S.P.; Masir, M.R.; Peeters, F.M. |
Title |
Magnetic electron focusing and tuning of the electron current with a pn-junction |
Type |
A1 Journal article |
Year |
2014 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
Volume |
115 |
Issue |
4 |
Pages |
043719-6 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Transverse magnetic focusing properties of graphene using a ballistic four terminal structure are investigated. The electric response is obtained using the semiclassical billiard model. The transmission exhibits pronounced peaks as a consequence of skipping orbits at the edge of the structure. When we add a pn-junction between the two probes, snake states along the pn-interface appear. Injected electrons are guided by the pn-interface to one of the leads depending on the value of the applied magnetic field. Oscillations in the resistance are found depending on the amount of particles that end up in each lead. |
Address |
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Corporate Author |
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Thesis |
|
Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
000331210800066 |
Publication Date |
2014-01-30 |
Series Editor |
|
Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0021-8979;1089-7550; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.068 |
Times cited |
21 |
Open Access |
|
Notes |
This work was supported by the Flemish Science Foundation (FWO-Vl), the European Science Foundation (ESF) under the EUROCORES Program EuroGRAPHENE within the project CONGRAN, and the Methusalem Foundation of the Flemish government. |
Approved |
Most recent IF: 2.068; 2014 IF: 2.183 |
Call Number |
UA @ lucian @ c:irua:115801 |
Serial |
1866 |
Permanent link to this record |
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|
Author |
Galván Moya, J.E.; Lucena, D.; Ferreira, W.P.; Peeters, F.M. |
Title |
Magnetic particles confined in a modulated channel : structural transitions tunable by tilting a magnetic field |
Type |
A1 Journal article |
Year |
2014 |
Publication |
Physical review : E : statistical, nonlinear, and soft matter physics |
Abbreviated Journal |
Phys Rev E |
Volume |
89 |
Issue |
3 |
Pages |
032309-9 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
The ground state of colloidal magnetic particles in a modulated channel are investigated as a function of the tilt angle of an applied magnetic field. The particles are confined by a parabolic potential in the transversal direction while in the axial direction a periodic substrate potential is present. By using Monte Carlo simulations, we construct a phase diagram for the different crystal structures as a function of the magnetic field orientation, strength of the modulated potential, and the commensurability factor of the system. Interestingly, we found first-and second-order phase transitions between different crystal structures, which can be manipulated by the orientation of the external magnetic field. A reentrant behavior is found between two-and four-chain configurations, with continuous second-order transitions. Novel configurations are found consisting of frozen solitons of defects. By changing the orientation and/or strength of the magnetic field and/or the strength and periodicity of the substrate potential, the system transits through different phases. |
Address |
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Corporate Author |
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Thesis |
|
Publisher |
American Institute of Physics |
Place of Publication |
Woodbury (NY) |
Editor |
|
Language |
|
Wos |
000333702800015 |
Publication Date |
2014-03-31 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1539-3755;1550-2376; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.366 |
Times cited |
11 |
Open Access |
|
Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl), the Methusalem programme of the Flemish government, CNPq, CAPES, FUNCAP (Pronex grant), the collaborative program CNPq-FWO-Vl, and the Brazilian program Science Without Borders CsF. Computational resources were provided by HPC infrastructure of University of Antwerp (CalcUA) a division of the Flemish Supercomputer Center (VSC). ; |
Approved |
Most recent IF: 2.366; 2014 IF: 2.288 |
Call Number |
UA @ lucian @ c:irua:117217 |
Serial |
1886 |
Permanent link to this record |
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|
Author |
Çakir, D.; Otalvaro, D.M.; Brocks, G. |
Title |
Magnetoresistance in multilayer fullerene spin valves: A first-principles study |
Type |
A1 Journal article |
Year |
2014 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
90 |
Issue |
24 |
Pages |
245404 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Carbon-based molecular semiconductors are explored for application in spintronics because their small spinorbit coupling promises long spin lifetimes. We calculate the electronic transport from first principles through spin valves comprising bi-and tri-layers of the fullerene molecules C-60 and C-70, sandwiched between two Fe electrodes. The spin polarization of the current, and the magnetoresistance depend sensitively on the interactions at the interfaces between the molecules and the metal surfaces. They are much less affected by the thickness of the molecular layers. A high current polarization (CP > 90%) and magnetoresistance (MR > 100%) at small bias can be attained using C-70 layers. In contrast, the current polarization and the magnetoresistance at small bias are vanishingly small for C-60 layers. Exploiting a generalized Julliere model we can trace the differences in spin-dependent transport between C-60 and C-70 layers to differences between the molecule-metal interface states. These states also allow one to interpret the current polarization and the magnetoresistance as a function of the applied bias voltage. |
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 |
000345875200005 |
Publication Date |
2014-12-02 |
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 |
13 |
Open Access |
|
Notes |
; ; |
Approved |
Most recent IF: 3.836; 2014 IF: 3.736 |
Call Number |
UA @ lucian @ c:irua:122177 |
Serial |
1928 |
Permanent link to this record |
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Author |
Zha, G.-Q.; Covaci, L.; Peeters, F.M.; Zhou, S.-P. |
Title |
Majorana fermion states and fractional flux periodicity in mesoscopic d-wave superconducting loops with spin-orbit interaction |
Type |
A1 Journal article |
Year |
2014 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
90 |
Issue |
1 |
Pages |
014522 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
We numerically investigate the spin-orbit (SO) coupling effect on the magnetic flux evolution of energy and supercurrent in mesoscopic d-wave superconducting loops by solving the spin-generalized Bogoliubov-de Gennes equations self-consistently. It is found that the energy spectrum splits when the SO interaction is involved and the Majorana zero mode can be realized in the [100] edges of square systems for an appropriate SO coupling strength. Superconducting phase transitions appear when the energy gap closes, accompanied by energy jumps between different energy parabolas in the ground state, which provides a possible mechanism to support fractional flux periodicity of supercurrent. Moreover, in the case of rectangular loops with SO coupling, the jumps of the ground-state energy gradually disappear by increasing the ratio of length to height of the sample, and a paramagnetic response with opposite direction of the screening current around zero flux value can occur in such systems. |
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 |
000341233800010 |
Publication Date |
2014-07-31 |
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 |
7 |
Open Access |
|
Notes |
; This work was supported by National Natural Science Foundation of China under Grants No. 61371020 and No. 61271163, by Visiting Scholar Program of Shanghai Municipal Education Commission, by Innovation Program of Shanghai Municipal Education Commission under Grant No. 13YZ006, and by the Flemish Science Foundation (FWO-Vl). ; |
Approved |
Most recent IF: 3.836; 2014 IF: 3.736 |
Call Number |
UA @ lucian @ c:irua:119266 |
Serial |
1938 |
Permanent link to this record |
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|
Author |
Çakir, D.; Peeters, F.M.; Sevik, C. |
Title |
Mechanical and thermal properties of h-MX2 (M = Cr, Mo, W; X = O, S, Se, Te) monolayers : a comparative study |
Type |
A1 Journal article |
Year |
2014 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
Volume |
104 |
Issue |
20 |
Pages |
203110 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Using density functional theory, we obtain the mechanical and thermal properties of MX2 monolayers (where M = Cr, Mo, W and X = O, S, Se, Te). The C-centered phonon frequencies (i.e., A(1), A(2)'', E ', and E ''), relative frequency values of A(1), and E ' modes, and mechanical properties (i.e., elastic constants, Young modulus, and Poisson's ratio) display a strong dependence on the type of metal and chalcogenide atoms. In each chalcogenide (metal) group, transition-metal dichalcogenides (TMDCs) with W (O) atom are found to be much stiffer. Consistent with their stability, the thermal expansion of lattice constants for TMDCs with O (Te) is much slower (faster). Furthermore, in a heterostructure of these materials, the difference of the thermal expansion of lattice constants between the individual components becomes quite tiny over the whole temperature range. The calculated mechanical and thermal properties show that TMDCs are promising materials for heterostructures. (C) 2014 AIP Publishing LLC. |
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 |
|
Language |
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Wos |
000337140800063 |
Publication Date |
2014-05-24 |
Series Editor |
|
Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0003-6951;1077-3118; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.411 |
Times cited |
130 |
Open Access |
|
Notes |
; Cem Sevik acknowledges the support from Scientific and Technological Research Council of Turkey (TUBITAK-113F096) and Anadolu University (BAP-1306F261 and -1306F281) to this project. We would also like to thank the ULAKBIM High Performance and Grid Computing Center for a generous time allocation for our projects. D. C. was supported by a FWO Pegasus-short Marie Curie Fellowship. Part of this work was supported by the Methusalem foundation of the Flemish Government. ; |
Approved |
Most recent IF: 3.411; 2014 IF: 3.302 |
Call Number |
UA @ lucian @ c:irua:118379 |
Serial |
1974 |
Permanent link to this record |
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|
|
Author |
Neek-Amal, M.; Xu, P.; Qi, D.; Thibado, P.M.; Nyakiti, L.O.; Wheeler, V.D.; Myers-Ward, R.L.; Eddy, C.R.; Gaskill, D.K.; Peeters, F.M. |
Title |
Membrane amplitude and triaxial stress in twisted bilayer graphene deciphered using first-principles directed elasticity theory and scanning tunneling microscopy |
Type |
A1 Journal article |
Year |
2014 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
90 |
Issue |
6 |
Pages |
064101 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Twisted graphene layers produce a moire pattern (MP) structure with a predetermined wavelength for a given twist angle. However, predicting the membrane corrugation amplitude for any angle other than pure AB-stacked or AA-stacked graphene is impossible using first-principles density functional theory (DFT) due to the large supercell. Here, within elasticity theory, we define the MP structure as the minimum-energy configuration, thereby leaving the height amplitude as the only unknown parameter. The latter is determined from DFT calculations for AB-and AA-stacked bilayer graphene in order to eliminate all fitting parameters. Excellent agreement with scanning tunneling microscopy results across multiple substrates is reported as a function of twist angle. |
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 |
|
Wos |
000339995800001 |
Publication Date |
2014-08-01 |
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 |
12 |
Open Access |
|
Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem Foundation of the Flemish Government. M.N.-A. was supported by the EU-Marie Curie IIF postdoctoral Fellowship No. 299855. P.M.T. is thankful for the financial support of the Office of Naval Research under Grant No. N00014-10-1-0181 and the National Science Foundation under Grant No. DMR-0855358. L.O.N. acknowledges the support of the American Society for Engineering Education and Naval Research Laboratory Postdoctoral Fellow Program. Work at the US Naval Research Laboratory is supported by the Office of Naval Research. ; |
Approved |
Most recent IF: 3.836; 2014 IF: 3.736 |
Call Number |
UA @ lucian @ c:irua:118774 |
Serial |
1991 |
Permanent link to this record |
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|
|
Author |
Sen, H.S.; Sahin, H.; Peeters, F.M.; Durgun, E. |
Title |
Monolayers of MoS2 as an oxidation protective nanocoating material |
Type |
A1 Journal article |
Year |
2014 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
Volume |
116 |
Issue |
8 |
Pages |
083508 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
First-principle calculations are employed to investigate the interaction of oxygen with ideal and defective MoS2 monolayers. Our calculations show that while oxygen atoms are strongly bound on top of sulfur atoms, the oxygen molecule only weakly interacts with the surface. The penetration of oxygen atoms and molecules through a defect-free MoS2 monolayer is prevented by a very high diffusion barrier indicating that MoS2 can serve as a protective layer for oxidation. The analysis is extended to WS2 and similar coating characteristics are obtained. Our calculations indicate that ideal and continuous MoS2 and WS2 monolayers can improve the oxidation and corrosion-resistance of the covered surface and can be considered as an efficient nanocoating material. (C) 2014 Author(s). All article content, except where otherwise noted, is licensed under a Creative Commons Attribution 3.0 Unported License. |
Address |
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Corporate Author |
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Thesis |
|
Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
000342821600017 |
Publication Date |
2014-08-27 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0021-8979;1089-7550; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.068 |
Times cited |
52 |
Open Access |
|
Notes |
; This work was supported by the bilateral project between TUBITAK (through Grant No. 113T050) and Flemish Science Foundation (FWO-Vl). The calculations were performed at TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). E.D. acknowledges support from Bilim Akademisi-The Science Academy, Turkey under the BAGEP program. H.S. is supported by an FWO Pegasus-long Marie Curie Fellowship. ; |
Approved |
Most recent IF: 2.068; 2014 IF: 2.183 |
Call Number |
UA @ lucian @ c:irua:121101 |
Serial |
2194 |
Permanent link to this record |
|
|
|
Author |
Xu, P.; Qi, D.; Schoelz, J.K.; Thompson, J.; Thibado, P.M.; Wheeler, V.D.; Nyakiti, L.O.; Myers-Ward, R.L.; Eddy, C.R.; Gaskill, D.K.; Neek-Amal, M.; Peeters, F.M.; |
Title |
Multilayer graphene, Moire patterns, grain boundaries and defects identified by scanning tunneling microscopy on the m-plane, non-polar surface of SiC |
Type |
A1 Journal article |
Year |
2014 |
Publication |
Carbon |
Abbreviated Journal |
Carbon |
Volume |
80 |
Issue |
|
Pages |
75-81 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Epitaxial graphene is grown on a non-polar n(+) 6H-SiC m-plane substrate and studied using atomic scale scanning tunneling microscopy. Multilayer graphene is found throughout the surface and exhibits rotational disorder. Moire patterns of different spatial periodicities are found, and we found that as the wavelength increases, so does the amplitude of the modulations. This relationship reveals information about the interplay between the energy required to bend graphene and the interaction energy, i.e. van der Waals energy, with the graphene layer below. Our experiments are supported by theoretical calculations which predict that the membrane topographical amplitude scales with the Moire pattern wavelength, L as L-1 + alpha L-2. (C) 2014 Elsevier Ltd. All rights reserved. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Oxford |
Editor |
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Language |
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Wos |
000344132400009 |
Publication Date |
2014-08-19 |
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 |
0008-6223; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
6.337 |
Times cited |
14 |
Open Access |
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Notes |
; P.X. and P.M.T. gratefully acknowledge the financial support of ONR under grant N00014-10-1-0181 and NSF under grant DMR-0855358. L.O.N. acknowledges the support of American Society for Engineering Education and Naval Research Laboratory Postdoctoral Fellow Program. Work at the U.S. Naval Research Laboratory is supported by the Office of Naval Research. This work was supported by the Flemish Science Foundation (FWO-Vl), the Methusalem Foundation of the Flemish Government, and the EUROgraphene project CONGRAN. M.N.-A was supported by the EU-Marie Curie IIF postdoc Fellowship 299855. ; |
Approved |
Most recent IF: 6.337; 2014 IF: 6.196 |
Call Number |
UA @ lucian @ c:irua:121194 |
Serial |
2221 |
Permanent link to this record |
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Author |
Shanenko, A.A.; Vagov, A.; Peeters, F.M.; Aguiar, J.A. |
Title |
Nanofilms as effectively multiband superconductors: Intraband-pairing approximation and Ginzburg-Landau theory |
Type |
A1 Journal article |
Year |
2014 |
Publication |
Physica: B : condensed matter |
Abbreviated Journal |
Physica B |
Volume |
455 |
Issue |
|
Pages |
3-5 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
It is well-known that the Ginzburg-Landau (GL) theory is a reliable and powerful theoretical tool to investigate the magnetic response of a superconducting state. However, in its standard form, this approach is not applicable to atomically uniform nano-thin superconducting films which are effective multiband superconductors. Here we discuss a relevant generalization of the GL theory, focusing on the underlying intraband-pairing approximation. (C) 2014 Elsevier B.V. All rights reserved. |
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 |
000344239200002 |
Publication Date |
2014-07-03 |
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 |
0921-4526; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.386 |
Times cited |
1 |
Open Access |
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Notes |
; This work was supported by the “Odysseus” Program of the Flemish Government, the Flemish Science Foundation (FWO-VI), and the Methusalem program. A.A.S. acknowledges the support of the Brazilian agencies CNPq and FACEPE (APQ-0589-1.05/08). ; |
Approved |
Most recent IF: 1.386; 2014 IF: 1.319 |
Call Number |
UA @ lucian @ c:irua:121192 |
Serial |
2256 |
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Author |
Esfahani, D.N.; Covaci, L.; Peeters, F.M. |
Title |
Nonlinear response to electric field in extended Hubbard models |
Type |
A1 Journal article |
Year |
2014 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
90 |
Issue |
20 |
Pages |
205121 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
The electric-field response of a one-dimensional ring of interacting fermions, where the interactions are described by the extended Hubbard model, is investigated. By using an accurate real-time propagation scheme based on the Chebyshev expansion of the evolution operator, we uncover various nonlinear regimes for a range of interaction parameters that allows modeling of metallic and insulating (either charge density wave or spin density wave insulators) rings. The metallic regime appears at the phase boundary between the two insulating phases and provides the opportunity to describe either weakly or strongly correlated metals. We find that the fidelity susceptibility of the ground state as a function of magnetic flux piercing the ring provides a very good measure of the short-time response. Even completely different interacting regimes behave in a similar manner at short time scales as long as the ground-state fidelity susceptibility is the same. Depending on the strength of the electric field we find various types of responses: persistent currents in the insulating phase, a dissipative regime, or damped Bloch-like oscillations with varying frequencies or even irregular in nature. Furthermore, we also consider the dimerization of the ring and describe the response of a correlated band insulator. In this case the distribution of the energy levels is more clustered and the Bloch-like oscillations become even more irregular. |
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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 |
000345423300002 |
Publication Date |
2014-11-15 |
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 |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
3 |
Open Access |
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Notes |
; This work was supported by the Flemish Science Foundation (Fonds Wetenschappelijk Onderzoek – FWO) and the Methusalem program of the Flemish government. One of us (L. C.) receives support as a postdoctoral fellow of the FWO. ; |
Approved |
Most recent IF: 3.836; 2014 IF: 3.736 |
Call Number |
UA @ lucian @ c:irua:122204 |
Serial |
2355 |
Permanent link to this record |
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Author |
Goncalves, W.C.; Sardella, E.; Becerra, V.F.; Milošević, M.V.; Peeters, F.M. |
Title |
Numerical solution of the time dependent Ginzburg-Landau equations for mixed (d plus s)-wave superconductors |
Type |
A1 Journal article |
Year |
2014 |
Publication |
Journal of mathematical physics |
Abbreviated Journal |
J Math Phys |
Volume |
55 |
Issue |
4 |
Pages |
041501 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
The time-dependent Ginzburg-Landau formalism for (d + s)-wave superconductors and their representation using auxiliary fields is investigated. By using the link variable method, we then develop suitable discretization of these equations. Numerical simulations are carried out for a mesoscopic superconductor in a homogeneous perpendicular magnetic field which revealed peculiar vortex states. (C) 2014 AIP Publishing LLC. |
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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 |
000336084100001 |
Publication Date |
2014-04-16 |
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 |
0022-2488;1089-7658; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.077 |
Times cited |
6 |
Open Access |
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Notes |
; We thank the Brazilian Agency FAPESP and Flemish Science Foundation (FSF) (FWO-Vlaanderen) for financial support. M. V. M. acknowledges support from the CAPES-PVE program. ; |
Approved |
Most recent IF: 1.077; 2014 IF: 1.243 |
Call Number |
UA @ lucian @ c:irua:117728 |
Serial |
2407 |
Permanent link to this record |
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Author |
Piña, J.C.; de Souza Silva, C.C.; Milošević, M.V. |
Title |
Optimizing mesoscopic two-band superconductors for observation of fractional vortex states |
Type |
A1 Journal article |
Year |
2014 |
Publication |
Physica: C : superconductivity |
Abbreviated Journal |
Physica C |
Volume |
503 |
Issue |
|
Pages |
48-51 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Using the two-component Ginzburg-Landau model, we investigate the effect of sample size and magnitude and homogeneity of external magnetic field on the stability of fractional vortex states in a mesoscopic two-band superconducting disk. We found that each fractional state has a preferable sample size, for which the range of applied field in which the state is stable is pronouncedly large. Vice versa, there exists an optimal magnitude of applied field for which a large range of possible sample radii will support the considered fractional state. Finally, we show that the stability of fractional states can be enhanced even further by magnetic nanostructuring of the sample, i.e. by suitably chosen geometrical parameters and magnetic moment of a ferromagnetic dot placed on top of the superconducting disk. (C) 2014 Elsevier B.V. All rights reserved. |
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 |
000340070600010 |
Publication Date |
2014-05-02 |
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 |
0921-4534; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.404 |
Times cited |
5 |
Open Access |
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Notes |
; This work was supported by the Brazilian science agencies CNPq and FACEPE, Grant APQ-2017-1.05/12. MVM acknowledges support from the CAPES-PVE program. ; |
Approved |
Most recent IF: 1.404; 2014 IF: 0.942 |
Call Number |
UA @ lucian @ c:irua:118743 |
Serial |
2494 |
Permanent link to this record |
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Author |
Grujić, M.M.; Tadić, M.Z.; Peeters, F.M. |
Title |
Orbital magnetic moments in insulating Dirac systems : impact on magnetotransport in graphene van der Waals heterostructures |
Type |
A1 Journal article |
Year |
2014 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
90 |
Issue |
20 |
Pages |
205408 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
In honeycomb Dirac systems with broken inversion symmetry, orbital magnetic moments coupled to the valley degree of freedom arise due to the topology of the band structure, leading to valley-selective optical dichroism. On the other hand, in Dirac systems with prominent spin-orbit coupling, similar orbital magnetic moments emerge as well. These moments are coupled to spin, but otherwise have the same functional form as the moments stemming from spatial inversion breaking. After reviewing the basic properties of these moments, which are relevant for a whole set of newly discovered materials, such as silicene and germanene, we study the particular impact that these moments have on graphene nanoengineered barriers with artificially enhanced spin-orbit coupling. We examine transmission properties of such barriers in the presence of a magnetic field. The orbital moments are found to manifest in transport characteristics through spin-dependent transmission and conductance, making them directly accessible in experiments. Moreover, the Zeeman-type effects appear without explicitly incorporating the Zeeman term in the models, i.e., by using minimal coupling and Peierls substitution in continuum and the tight-binding methods, respectively. We find that a quasiclassical view is able to explain all the observed phenomena. |
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Corporate Author |
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Publisher |
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Place of Publication |
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Language |
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Wos |
000344915800009 |
Publication Date |
2014-11-10 |
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 |
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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 |
; This work was supported by the Ministry of Education, Science and Technological Development (Serbia), and the Fonds Wetenschappelijk Onderzoek (Belgium). ; |
Approved |
Most recent IF: 3.836; 2014 IF: 3.736 |
Call Number |
UA @ lucian @ c:irua:122141 |
Serial |
2497 |
Permanent link to this record |
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Author |
Szaszko-Bogar, V.; Foeldi, P.; Peeters, F.M. |
Title |
Oscillating spin-orbit interaction as a source of spin-polarized wavepackets in two-terminal nanoscale devices |
Type |
A1 Journal article |
Year |
2014 |
Publication |
Journal of physics : condensed matter |
Abbreviated Journal |
J Phys-Condens Mat |
Volume |
26 |
Issue |
13 |
Pages |
135302 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Ballistic transport through nanoscale devices with time-dependent Rashba-type spin- orbit interaction (SOI) can lead to spin-polarized wavepackets that appear even for completely unpolarized input. The SOI that oscillates in a finite domain generates density and spin polarization fluctuations that leave the region as propagating waves. In particular, spin polarization has space and time dependence even in regions without SOI. Our results are based on an analytical solution of the time-dependent Schrodinger equation. The relevant Floquet quasi-energies that are obtained appear in the energy spectrum of both the transmitted and the reflected waves. |
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Place of Publication |
London |
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Wos |
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Publication Date |
0000-00-00 |
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 |
0953-8984 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.649 |
Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: 2.649; 2014 IF: 2.346 |
Call Number |
UA @ lucian @ c:irua:116844 |
Serial |
2533 |
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Author |
Berdiyorov, G.R.; Milošević, M.V.; Savel'ev, S.; Kusmartsev, F.; Peeters, F.M. |
Title |
Parametric amplification of vortex-antivortex pair generation in a Josephson junction |
Type |
A1 Journal article |
Year |
2014 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
90 |
Issue |
13 |
Pages |
134505 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Using advanced three-dimensional simulations, we show that an Abrikosov vortex, trapped inside a cavity perpendicular to an artificial Josephson junction, can serve as a very efficient source for generation of Josephson vortex-antivortex pairs in the presence of the applied electric current. In such a case, the nucleation rate of the pairs can be tuned in a broad range by an out-of-plane ac magnetic field in a broad range of frequencies. This parametrically amplified vortex-antivortex nucleation can be considered as a macroscopic analog of the dynamic Casimir effect, where fluxon pairs mimic the photons and the ac magnetic field plays the role of the oscillating mirrors. The emerging vortex pairs in our system can be detected by the pronounced features in the measured voltage characteristics, or through the emitted electromagnetic radiation, and exhibit resonant dynamics with respect to the frequency of the applied magnetic field. Reported tunability of the Josephson oscillations can be useful for developing high-frequency emission devices. |
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Place of Publication |
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Wos |
000344025100003 |
Publication Date |
2014-10-06 |
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 |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
22 |
Open Access |
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Notes |
; This work was supported by the Flemish Science Foundation (FWO-VI) and the Leverhulme Trust. G.R.B. acknowledges support from a EU-Marie Curie individual grant (Grant No. 253057) ; |
Approved |
Most recent IF: 3.836; 2014 IF: 3.736 |
Call Number |
UA @ lucian @ c:irua:121176 |
Serial |
2553 |
Permanent link to this record |