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Author Zhao, H.J.; Misko, V.R.; Peeters, F.M. url  doi
openurl 
  Title Dynamics of self-organized driven particles with competing range interaction Type A1 Journal article
  Year 2013 Publication Physical review : E : statistical, nonlinear, and soft matter physics Abbreviated Journal Phys Rev E  
  Volume 88 Issue 2 Pages 022914-22917  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Nonequilibrium self-organized patterns formed by particles interacting through competing range interaction are driven over a substrate by an external force. We show that, with increasing driving force, the preexisted static patterns evolve into dynamic patterns either via disordered phase or depinned patterns or via the formation of nonequilibrium stripes. Strikingly, the stripes are formed either in the direction of the driving force or in the transverse direction, depending on the pinning strength. The revealed dynamical patterns are summarized in a dynamical phase diagram.  
  Address  
  Corporate Author Thesis  
  Publisher American Institute of Physics Place of Publication Woodbury (NY) Editor  
  Language Wos 000323333000014 Publication Date 2013-08-19  
  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 23 Open Access  
  Notes (up) ; This work was supported by the “Odysseus” Program of the Flemish Government and the Flemish Science Foundation (FWO-Vl). ; Approved Most recent IF: 2.366; 2013 IF: 2.326  
  Call Number UA @ lucian @ c:irua:110743 Serial 783  
Permanent link to this record
 

 
Author Shanenko, A.A.; Orlova, N.V.; Vagov, A.; Milošević, M.V.; Axt, V.M.; Peeters, F.M. pdf  doi
openurl 
  Title Nanofilms as quantum-engineered multiband superconductors : the Ginzburg-Landau theory Type A1 Journal article
  Year 2013 Publication Europhysics letters Abbreviated Journal Epl-Europhys Lett  
  Volume 102 Issue 2 Pages 27003-27006  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Recently fabricated single-crystalline atomically flat metallic nanofilms are in fact quantum-engineered multiband superconductors. Here the multiband structure is dictated by the nanofilm thickness through the size quantization of the electron motion perpendicular to the nanofilm. This opens the unique possibility to explore superconductivity in well-controlled multi-band systems. However, a serious obstacle is the absence of a convenient and manageable theoretical tool to access new physical phenomena in such quasi-two-dimensional systems, including interplay of quantum confinement and fluctuations. Here we cover this gap and construct the appropriate multiband Ginzburg-Landau functional for nano-thin superconductors. Copyright (C) EPLA, 2013  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Paris Editor  
  Language Wos 000319617700019 Publication Date 2013-05-03  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0295-5075;1286-4854; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.957 Times cited 8 Open Access  
  Notes (up) ; This work was supported by the “Odysseus” Program of the Flemish Government and the Flemish Science Foundation (FWO-Vl). ; Approved Most recent IF: 1.957; 2013 IF: 2.269  
  Call Number UA @ lucian @ c:irua:109859 Serial 2257  
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Author Orlova, N.V.; Shanenko, A.A.; Milošević, M.V.; Peeters, F.M.; Vagov, A.V.; Axt, V.M. url  doi
openurl 
  Title Ginzburg-Landau theory for multiband superconductors : microscopic derivation Type A1 Journal article
  Year 2013 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 87 Issue 13 Pages 134510-134518  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract A procedure to derive the Ginzburg-Landau (GL) theory from the multiband BCS Hamiltonian is developed in a general case with an arbitrary number of bands and arbitrary interaction matrix. It combines the standard Gor'kov truncation and a subsequent reconstruction in order to match accuracies of the obtained terms. This reconstruction recovers the phenomenological GL theory as obtained from the Landau model of phase transitions but offers explicit microscopic expressions for the relevant parameters. Detailed calculations are presented for a three-band system treated as a prototype multiband superconductor. It is demonstrated that the symmetry in the coupling matrix may lead to the chiral ground state with the phase frustration, typical for systems with broken time-reversal symmetry. DOI: 10.1103/PhysRevB.87.134510  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000317586700002 Publication Date 2013-04-16  
  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 57 Open Access  
  Notes (up) ; This work was supported by the “Odysseus” Program of the Flemish Government and the Flemish Science Foundation (FWO-Vl). A.A.S. acknowledges useful discussions with D. Neilson. ; Approved Most recent IF: 3.836; 2013 IF: 3.664  
  Call Number UA @ lucian @ c:irua:108464 Serial 1344  
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Author Pogosov, W.V.; Lin, N.; Misko, V.R. doi  openurl
  Title Electron-hole symmetry and solutions of Richardson pairing model Type A1 Journal article
  Year 2013 Publication European physical journal : B : condensed matter and complex systems Abbreviated Journal Eur Phys J B  
  Volume 86 Issue 5 Pages 235-236  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Richardson approach provides an exact solution of the pairing Hamiltonian. This Hamiltonian is characterized by the electron-hole pairing symmetry, which is however hidden in Richardson equations. By analyzing this symmetry and using an additional conjecture, fulfilled in solvable limits, we suggest a simple expression of the ground state energy for an equally-spaced energy-level model, which is applicable along the whole crossover from the superconducting state to the pairing fluctuation regime. Solving Richardson equations numerically, we demonstrate a good accuracy of our expression.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Berlin Editor  
  Language Wos 000320286200044 Publication Date 2013-05-28  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1434-6028;1434-6036; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.461 Times cited 6 Open Access  
  Notes (up) ; This work was supported by the “Odysseus” Program of the Flemish Government and the Flemish Science Foundation (FWO-Vl). W.V.P. acknowledges useful discussions with Monique Combescot and the support from the Dynasty Foundation, the RFBR (project No. 12-02-00339), and RFBR-CNRS programme (project No. 12-02-91055). ; Approved Most recent IF: 1.461; 2013 IF: 1.463  
  Call Number UA @ lucian @ c:irua:109657 Serial 935  
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Author Kapra, A.V.; Vodolazov, D.Y.; Misko, V.R. url  doi
openurl 
  Title Vortex transport in a channel with periodic constrictions Type A1 Journal article
  Year 2013 Publication Superconductor science and technology Abbreviated Journal Supercond Sci Tech  
  Volume 26 Issue 9 Pages 095010-95011  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract By numerically solving the time-dependent Ginzburg-Landau equations in a type-II superconductor, characterized by a critical temperature T-c1, and the coherence length xi(1), with a channel formed by overlapping rhombuses (diamond-like channel) made of another type-II superconductor, characterized, in general, by different T-c2 and xi(2), we investigate the dynamics of driven vortex matter for varying parameters of the channel: the width of the neck connecting the diamond cells, the cell geometry, and the ratio between the coherence lengths in the bank and the channel. We analyzed samples with periodic boundary conditions (which we call 'infinite' samples) and finite-size samples (with boundaries for vortex entry/exit), and we found that by tuning the channel parameters, one can manipulate the vortex dynamics, e.g., change the transition from flux-pinned to flux-flow regime and tune the slope of the IV-curves. In addition, we analyzed the effect of interstitial vortices on these characteristics. The critical current of this device was studied as a function of the applied magnetic field, j(c)(H). The function j(c)(H) reveals a striking commensurability peak, in agreement with recent experimental observations. The obtained results suggest that the diamond channel, which combines the properties of pinning arrays and flux-guiding channels, can be a promising candidate for potential use in devices controlling magnetic flux motion.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Bristol Editor  
  Language Wos 000323073800016 Publication Date 2013-07-30  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0953-2048;1361-6668; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.878 Times cited 2 Open Access  
  Notes (up) ; This work was supported by the 'Odysseus' Program of the Flemish Government and the Flemish Science Foundation (FWO-Vl). ; Approved Most recent IF: 2.878; 2013 IF: 2.796  
  Call Number UA @ lucian @ c:irua:110737 Serial 3898  
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Author Zhang, S.H.; Xu, W.; Badalyan, S.M.; Peeters, F.M. url  doi
openurl 
  Title Piezoelectric surface acoustical phonon limited mobility of electrons in graphene on a GaAs substrate Type A1 Journal article
  Year 2013 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 87 Issue 7 Pages 075443-75445  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We study the mobility of Dirac fermions in monolayer graphene on a GaAs substrate, limited by the combined action of the extrinsic potential of piezoelectric surface acoustical phonons of GaAs (PA) and of the intrinsic deformation potential of acoustical phonons in graphene (DA). In the high-temperature (T) regime, the momentum relaxation rate exhibits the same linear dependence on T but different dependencies on the carrier density n, corresponding to the mobility mu proportional to 1 root n and 1/n, respectively for the PA and DA scattering mechanisms. In the low-T Bloch-Gruneisen regime, the mobility shows the same square-root density dependence mu proportional to root n, but different temperature dependencies mu proportional to T-3 and T-4, respectively for PA and DA phonon scattering. DOI: 10.1103/PhysRevB.87.075443  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000315375200008 Publication Date 2013-02-27  
  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 25 Open Access  
  Notes (up) ; This work was supported by the ESF-Eurocores program EuroGRAPHENE (CONGRAN project) and the Flemish Science Foundation (FWO-VI). ; Approved Most recent IF: 3.836; 2013 IF: 3.664  
  Call Number UA @ lucian @ c:irua:107655 Serial 2622  
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Author Zhu, J.-J.; Badalyan, S.M.; Peeters, F.M. url  doi
openurl 
  Title Plasmonic excitations in Coulomb-coupled N-layer graphene structures Type A1 Journal article
  Year 2013 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 87 Issue 8 Pages 085401-85408  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We study Dirac plasmons and their damping in spatially separated N-layer graphene structures at finite doping and temperatures. The plasmon spectrum consists of one optical excitation with square-root dispersion and N – 1 acoustical excitations with linear dispersion, which are undamped at zero temperature and finite doping within a triangular energy region outside the electron-hole continuum. In the long-wavelength limit the energy and weight of the optical plasmon modes increase, respectively, as the square root and linearly with N in agreement with recent experimental findings. The energy and weight of the upper-lying acoustical branches also increase with N. This increase is strongest for the uppermost acoustical mode, and we find that its energy can exceed at some value of momentum the plasmon energy in an individual graphene sheet. Meanwhile, the energy of the low-lying acoustical branches decreases weakly with N as compared with the single acoustical mode in double-layer graphene structures. Our numerical calculations provide a detailed understanding of the overall behavior of the wave-vector dependence of the optical and acoustical multilayer plasmon modes and show how their dispersion and damping are modified as a function of temperature, interlayer spacing, and inlayer carrier density in (un)balanced graphene multilayer structures. DOI: 10.1103/PhysRevB.87.085401  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000314682900005 Publication Date 2013-02-05  
  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 59 Open Access  
  Notes (up) ; This work was supported by the ESF-Eurocores program EuroGRAPHENE (CONGRAN project) and the Flemish Science Foundation (FWO-Vl). ; Approved Most recent IF: 3.836; 2013 IF: 3.664  
  Call Number UA @ lucian @ c:irua:107671 Serial 2645  
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Author Arsoski, V.; Tadic, M.; Peeters, F.M. doi  openurl
  Title Electric field tuning of the optical excitonic Aharonov-Bohm effect in nanodots grown by droplet epitaxy Type A1 Journal article
  Year 2013 Publication Physica scripta Abbreviated Journal Phys Scripta  
  Volume T157 Issue Pages 014002  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Neutral excitons in axially symmetric GaAs nanodots embedded in an (Al, Ga) As matrix, which are formed by the droplet epitaxy technique, are investigated theoretically. An electric field perpendicular to the nanodot base results in both a vertical and an in-plane exciton polarization, which is beneficial for the appearance of the excitonic Aharonov-Bohm effect. In the range of low magnetic fields (below 5 Tesla), we found that the bright and dark exciton states can cross twice. This results in oscillations of the photoluminescence intensity with magnetic field, which are a striking manifestation of the optical excitonic Aharonov-Bohm effect.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Stockholm Editor  
  Language Wos 000332504600003 Publication Date 2013-11-15  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0031-8949 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 1.28 Times cited Open Access  
  Notes (up) ; This work was supported by the EU Network of Excellence: SANDiE, the Ministry of Education and Science of Serbia, the Flemish Science Foundation (FWO-Vl) and the Belgian Science Policy (IAP). ; Approved Most recent IF: 1.28; 2013 IF: 1.296  
  Call Number UA @ lucian @ c:irua:128901 Serial 4594  
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Author Arsoski, V.V.; Tadić, M.Z.; Peeters, F.M. url  doi
openurl 
  Title Strain and band-mixing effects on the excitonic Aharonov-Bohm effect in In(Ga)As/GaAs ringlike quantum dots Type A1 Journal article
  Year 2013 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 87 Issue 8 Pages 085314-14  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Neutral excitons in strained axially symmetric In(Ga)As/GaAs quantum dots with a ringlike shape are investigated. Similar to experimental self-assembled quantum rings, the analyzed quantum dots have volcano-like shapes. The continuum mechanical model is employed to determine the strain distribution, and the single-band envelope function approach is adopted to compute the electron states. The hole states are determined by the axially symmetric multiband Luttinger-Kohn Hamiltonian, and the exciton states are obtained from an exact diagonalization. We found that the presence of the inner layer covering the ring opening enhances the excitonic Aharonov-Bohm (AB) oscillations. The reason is that the hole becomes mainly localized in the inner part of the quantum dot due to strain, whereas the electron resides mainly inside the ring-shaped rim. Interestingly, larger AB oscillations are found in the analyzed quantum dot than in a fully opened quantum ring of the same width. Comparison with the unstrained ringlike quantum dot shows that the amplitude of the excitonic Aharonov-Bohm oscillations are almost doubled in the presence of strain. The computed oscillations of the exciton energy levels are comparable in magnitude to the oscillations measured in recent experiments. DOI: 10.1103/PhysRevB.87.085314  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000315278000003 Publication Date 2013-02-25  
  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 18 Open Access  
  Notes (up) ; This work was supported by the EU NoE: SANDiE, the Ministry of Education, Science, and Technological Development of Serbia, and the Flemish Science Foundation (FWO-Vl). ; Approved Most recent IF: 3.836; 2013 IF: 3.664  
  Call Number UA @ lucian @ c:irua:107656 Serial 3165  
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Author Seyed-Talebi, S.M.; Beheshtian, J.; Neek-Amal, M. doi  openurl
  Title Doping effect on the adsorption of NH3 molecule onto graphene quantum dot : from the physisorption to the chemisorption Type A1 Journal article
  Year 2013 Publication Journal of applied physics Abbreviated Journal J Appl Phys  
  Volume 114 Issue 12 Pages 124307-7  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The adsorption of ammonia molecule onto a graphene hexagonal flake, aluminum (Al) and boron (B) doped graphene flakes (graphene quantum dots, GQDs) are investigated using density functional theory. We found that NH3 molecule is absorbed to the hollow site through the physisorption mechanism without altering the electronic properties of GQD. However, the adsorption energy of NH3 molecule onto the Al- and B-doped GQDs increases with respect GQD resulting chemisorption. The adsorption of NH3 onto the Al-doped and B-doped GQDs makes graphene locally buckled, i.e., B-doped and Al-doped GQDs are not planar. The adsorption mechanism onto a GQD is different than that of graphene. This study reveals important features of the edge passivation and doping effects of the adsorption mechanism of external molecules onto the graphene quantum dots. (C) 2013 AIP Publishing LLC.  
  Address  
  Corporate Author Thesis  
  Publisher American Institute of Physics Place of Publication New York, N.Y. Editor  
  Language Wos 000325391100057 Publication Date 2013-09-26  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0021-8979; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.068 Times cited 10 Open Access  
  Notes (up) ; This work was supported by the EU-Marie Curie IIF Fellowship/299855 for M.-N.A. ; Approved Most recent IF: 2.068; 2013 IF: 2.185  
  Call Number UA @ lucian @ c:irua:112201 Serial 750  
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Author Neek-Amal, M.; Beheshtian, J.; Sadeghi, A.; Michel, K.H.; Peeters, F.M. doi  openurl
  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 (up) ; 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  
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Author Singh, S.K.; Neek-Amal, M.; Peeters, F.M. url  doi
openurl 
  Title Melting of graphene clusters Type A1 Journal article
  Year 2013 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 87 Issue 13 Pages 134103-134109  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Density-functional tight-binding and classical molecular dynamics simulations are used to investigate the structural deformations and melting of planar carbon nanoclusters C-N with N = 2-55. The minimum-energy configurations for different clusters are used as starting configurations for the study of the temperature effects on the bond breaking and rotation in carbon lines (N < 6), carbon rings (5 < N < 19), and graphene nanoflakes. The larger the rings (graphene nanoflakes) the higher the transition temperature (melting point) with ring-to-line (perfect-to-defective) transition structures. The melting point was obtained by using the bond energy, the Lindemann criteria, and the specific heat. We found that hydrogen-passivated graphene nanoflakes (CNHM) have a larger melting temperature with a much smaller dependence on size. The edges in the graphene nanoflakes exhibit several different metastable configurations (isomers) during heating before melting occurs. DOI: 10.1103/PhysRevB.87.134103  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000317390700001 Publication Date 2013-04-11  
  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 28 Open Access  
  Notes (up) ; This work was supported by the EU-Marie Curie IIF Postdoctoral Fellowship No. 299855 (for M.N.-A.), the ESF-EuroGRAPHENE Project CONGRAN, the Flemish Science Foundation (FWO-Vl), and the Methusalem Foundation of the Flemish Government. ; Approved Most recent IF: 3.836; 2013 IF: 3.664  
  Call Number UA @ lucian @ c:irua:108467 Serial 1987  
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Author Neek-Amal, M.; Covaci, L.; Shakouri, K.; Peeters, F.M. url  doi
openurl 
  Title Electronic structure of a hexagonal graphene flake subjected to triaxial stress Type A1 Journal article
  Year 2013 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 88 Issue 11 Pages 115428  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The electronic properties of a triaxially strained hexagonal graphene flake with either armchair or zigzag edges are investigated using molecular dynamics simulations and tight-binding calculations. We found that (i) the pseudomagnetic field in strained graphene flakes is not uniform neither in the center nor at the edge of zigzag terminated flakes, (ii) the pseudomagnetic field is almost zero in the center of armchair terminated flakes but increases dramatically near the edges, (iii) the pseudomagnetic field increases linearly with strain, for strains lower than 15% but increases nonlinearly beyond it, (iv) the local density of states in the center of the zigzag hexagon exhibits pseudo-Landau levels with broken sublattice symmetry in the zeroth pseudo-Landau level, and in addition there is a shift in the Dirac cone due to strain induced scalar potentials, and (v) there is size effect in pseudomagnetic field. This study provides a realistic model of the electronic properties of inhomogeneously strained graphene where the relaxation of the atomic positions is correctly included together with strain induced modifications of the hopping terms up to next-nearest neighbors.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000324690400008 Publication Date 2013-09-24  
  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 46 Open Access  
  Notes (up) ; This work was supported by the EU-Marie Curie IIF postdoctoral Fellowship/ 299855 (for M.N.-A.), the ESF EuroGRAPHENE project CONGRAN, the Flemish Science Foundation (FWO-Vl) and the Methusalem Funding of the Flemish government. ; Approved Most recent IF: 3.836; 2013 IF: 3.664  
  Call Number UA @ lucian @ c:irua:111168 Serial 1011  
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Author Grujić, M.; Tadić, M.; Peeters, F.M. url  doi
openurl 
  Title Antiferromagnetism in hexagonal graphene structures : rings versus dots Type A1 Journal article
  Year 2013 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 87 Issue 8 Pages 085434-85436  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Themean-field Hubbard model is used to investigate the formation of the antiferromagnetic phase in hexagonal graphene rings with inner zigzag edges. The outer edge of the ring was taken to be either zigzag or armchair, and we found that both types of structures can have a larger antiferromagnetic interaction as compared with hexagonal dots. This difference could be partially ascribed to the larger number of zigzag edges per unit area in rings than in dots. Furthermore, edge states localized on the inner ring edge are found to hybridize differently than the edge states of dots, which results in important differences in the magnetism of graphene rings and dots. The largest staggered magnetization is found when the outer edge has a zigzag shape. However, narrow rings with armchair outer edge are found to have larger staggered magnetization than zigzag hexagons. The edge defects are shown to have the least effect on magnetization when the outer ring edge is armchair shaped. DOI: 10.1103/PhysRevB.87.085434  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000315146600005 Publication Date 2013-02-20  
  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 29 Open Access  
  Notes (up) ; This work was supported by the EuroGRAPHENE programme of the ESF (project CONGRAN), the Serbian Ministry of Education, Science, and Technological Development, and the Flemish Science Foundation (FWO-VI). ; Approved Most recent IF: 3.836; 2013 IF: 3.664  
  Call Number UA @ lucian @ c:irua:107661 Serial 137  
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Author Masir, M.R.; Peeters, F.M. doi  openurl
  Title Scattering of Dirac electrons by a random array of magnetic flux tubes Type A1 Journal article
  Year 2013 Publication Journal of computational electronics Abbreviated Journal J Comput Electron  
  Volume 12 Issue 2 Pages 115-122  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The scattering of two-dimensional (2D) massless electrons as presented in graphene in the presence of a random array of circular magnetic flux tubes is investigated. The momentum relaxation time and the Hall factor are obtained using optical theorem techniques for scattering. Electrons with energy close to those of the Landau levels of the flux tubes exhibit resonant scattering and have a long life-time to reside inside the magnetic flux tube. These resonances appear as sharp structures in the Hall factor and the magneto-resistance.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication S.l. Editor  
  Language Wos 000320044900007 Publication Date 2013-02-15  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1569-8025;1572-8137; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.526 Times cited 2 Open Access  
  Notes (up) ; This work was supported by the European Science Foundation (ESF) under the EUROCORES Program Euro-GRAPHENE within the project CONGRAN and the Flemish Science Foundation (FWO-Vl). We acknowledge fruitful discussions with A. Matulis. ; Approved Most recent IF: 1.526; 2013 IF: 1.372  
  Call Number UA @ lucian @ c:irua:109615 Serial 2950  
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Author Van Duppen, B.; Peeters, F.M. url  doi
openurl 
  Title Four-band tunneling in bilayer graphene Type A1 Journal article
  Year 2013 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 87 Issue 20 Pages 205427-10  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The conductance, the transmission, and the reflection probabilities through rectangular potential barriers and p-n junctions are obtained for bilayer graphene taking into account the four bands of the energy spectrum. We have evaluated the importance of the skew hopping parameters gamma(3) and gamma(4) to these properties and show that for energies E > gamma(1)/100 their effect is negligible. For high energies two modes of propagation exist and we investigate scattering between these modes. For perpendicular incidence both propagation modes are decoupled, and scattering between them is forbidden. This extends the concept of pseudospin as defined within the two-band approximation to a four-band model and corresponds to the (anti) symmetry of the wave functions under in-plane mirroring. New transmission resonances are found that appear as sharp peaks in the conductance which are absent in the two-band approximation. The application of an interlayer bias to the system (1) breaks the pseudospin structure, (2) opens a band gap that results in a distinct feature of suppressed transmission in the conductance, and (3) breaks the angular symmetry with respect to normal incidence in the transmission and reflection.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000319282000002 Publication Date 2013-05-21  
  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 37 Open Access  
  Notes (up) ; This work was supported by the European Science Foundation (ESF) under the EUROCORES Program Euro-GRAPHENE within the project CONGRAN, the Flemish Science Foundation (FWO-Vl) by an aspirant research grant to B. Van Duppen and the Methusalem Programme of the Flemish Government. ; Approved Most recent IF: 3.836; 2013 IF: 3.664  
  Call Number UA @ lucian @ c:irua:109001 Serial 1269  
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Author Moldovan, D.; Masir, M.R.; Peeters, F.M. url  doi
openurl 
  Title Electronic states in a graphene flake strained by a Gaussian bump Type A1 Journal article
  Year 2013 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 88 Issue 3 Pages 035446-35447  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The effect of strain in graphene is usually modeled by a pseudomagnetic vector potential which is, however, derived in the limit of small strain. In realistic cases deviations are expected in view of graphene's very high strain tolerance, which can be up to 25%. Here we investigate the pseudomagnetic field generated by a Gaussian bump and we show that it exhibits significant differences with numerical tight-binding results. Furthermore, we calculate the electronic states in the strained region for a hexagon shaped flake with armchair edges. We find that the sixfold symmetry of the wave functions inside the Gaussian bump is directly related to the different effects of strain along the fundamental directions of graphene: zigzag and armchair. Low energy electrons are strongly confined in the armchair directions and are localized on the carbon atoms of a single sublattice.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000322587500003 Publication Date 2013-07-30  
  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 50 Open Access  
  Notes (up) ; This work was supported by the European Science Foundation (ESF) under the EUROCORES Program Euro-GRAPHENE within the project CONGRAN, the Flemish Science Foundation (FWO-Vl), and the Methusalem Funding of the Flemish Government. ; Approved Most recent IF: 3.836; 2013 IF: 3.664  
  Call Number UA @ lucian @ c:irua:109800 Serial 1007  
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Author Van Duppen, B.; Sena, S.H.R.; Peeters, F.M. pdf  doi
openurl 
  Title Multiband tunneling in trilayer graphene Type A1 Journal article
  Year 2013 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 87 Issue 19 Pages 195439-10  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The electronic tunneling properties of the two stable forms of trilayer graphene (TLG), rhombohedral ABC and Bernal ABA, are examined for p-n and p-n-p junctions as realized by using a single gate (SG) or a double gate (DG). For the rhombohedral form, due to the chirality of the electrons, the Klein paradox is found at normal incidence for SG devices, while at high-energy interband scattering between additional propagation modes can occur. The electrons in Bernal ABA TLG can have a monolayer- or bilayer-like character when incident on a SG device. Using a DG, however, both propagation modes will couple by breaking the mirror symmetry of the system, which induces intermode scattering and resonances that depend on the width of the DG p-n-p junction. For ABC TLG the DG opens up a band gap which suppresses Klein tunneling. The DG induces also an unexpected asymmetry in the tunneling angle for single-valley electrons.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000319281700004 Publication Date 2013-05-23  
  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 13 Open Access  
  Notes (up) ; This work was supported by the European Science Foundation (ESF) under the EUROCORES Program EuroGRAPHENE within the project CONGRAN, the Flemish Science Foundation (FWO-VI) by an aspirant research grant to B. Van Duppen and the Methusalem Programme of the Flemish Government. ; Approved Most recent IF: 3.836; 2013 IF: 3.664  
  Call Number UA @ lucian @ c:irua:108998 Serial 2216  
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Author Berdiyorov, G.R.; Savel'ev, S.E.; Milošević, M.V.; Kusmartsev, F.V.; Peeters, F.M. url  doi
openurl 
  Title Synchronized dynamics of Josephson vortices in artificial stacks of SNS Josephson junctions under both dc and ac bias currents Type A1 Journal article
  Year 2013 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 87 Issue 18 Pages 184510-184519  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Nonlinear dynamics of Josephson vortices (fluxons) in artificial stacks of superconducting-normal-superconducting Josephson junctions under simultaneously applied time-periodic ac and constant biasing dc currents is studied using the time dependent Ginzburg-Landau formalism with a Lawrence-Doniach extension. At zero external magnetic field and dc biasing current the resistive state of the system is characterized by periodic nucleation and annihilation of fluxon-antifluxon pairs, relative positions of which are determined by the state of neighboring junctions. Due to the mutual repulsive interaction, fluxons in different junctions move out of phase. Their collective motion can be synchronized by adding a small ac component to the biasing dc current. Coherent motion of fluxons is observed for a broad frequency range of the applied drive. In the coherent state the maximal output voltage, which is proportional to the number of junctions in the stack, is observed near the characteristic frequency of the system determined by the crossing of the fluxons across the sample. However, in this frequency range the dynamically synchronized state has an alternative-a less ordered state with smaller amplitude of the output voltage. Collective behavior of the junctions is strongly affected by the sloped sidewalls of the stack. Synchronization is observed only for weakly trapezoidal cross sections, whereas irregular motion of fluxons is observed for larger slopes of the sample edge.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000319653400007 Publication Date 2013-05-28  
  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 10 Open Access  
  Notes (up) ; This work was supported by the Flemish Science Foundation (FWO-VI) and by EU Marie Curie (Project No. 253057). ; Approved Most recent IF: 3.836; 2013 IF: 3.664  
  Call Number UA @ lucian @ c:irua:109643 Serial 3406  
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Author Berdiyorov, G.R.; Doria, M.M.; de Romaguera, A.R.C.; Milošević, M.V.; Brandt, E.H.; Peeters, F.M. url  doi
openurl 
  Title Current-induced cutting and recombination of magnetic superconducting vortex loops in mesoscopic superconductor-ferromagnet heterostructures Type A1 Journal article
  Year 2013 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 87 Issue 18 Pages 184508-5  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Vortex loops are generated by the inhomogeneous stray field of a magnetic dipole on top of a current-carrying mesoscopic superconductor. Cutting and recombination processes unfold under the applied drive, resulting in periodic voltage oscillations across the sample. We show that a direct and detectable consequence of the cutting and recombination of these vortex loops in the present setup is the onset of vortices at surfaces where they were absent prior to the application of the external current. The nonlinear dynamics of vortex loops is studied within the time-dependent Ginzburg-Landau theory to describe the profound three-dimensional features of their time evolution.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000319252000008 Publication Date 2013-05-21  
  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 13 Open Access  
  Notes (up) ; This work was supported by the Flemish Science Foundation (FWO-VI) and the bilateral programme between Flanders and Brazil. G.R.B. acknowledges support from FWO-VI. A.R. de C.R. acknowledges CNPq for financial support. ; Approved Most recent IF: 3.836; 2013 IF: 3.664  
  Call Number UA @ lucian @ c:irua:109648 Serial 593  
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Author Carrillo-Nuñez, H.; Magnus, W.; Vandenberghe, W.G.; Sorée, B.; Peeters, F.M. doi  openurl
  Title Phonon-assisted Zener tunneling in a cylindrical nanowire transistor Type A1 Journal article
  Year 2013 Publication Journal of applied physics Abbreviated Journal J Appl Phys  
  Volume 113 Issue 18 Pages 184507-184508  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The tunneling current has been computed for a cylindrical nanowire tunneling field-effect transistor (TFET) with an all-round gate that covers the source region. Being the underlying mechanism, band-to-band tunneling, mediated by electron-phonon interaction, is pronouncedly affected by carrier confinement in the radial direction and, therefore, involves the self-consistent solution of the Schrodinger and Poisson equations. The latter has been accomplished by exploiting a non-linear variational principle within the framework of the modified local density approximation taking into account the nonparabolicity of both the valence band and conduction band in relatively thick wires. Moreover, while the effective-mass approximation might still provide a reasonable description of the conduction band in relatively thick wires, we have found that the nonparabolicity of the valence band needs to be included. As a major conclusion, it is observed that confinement effects in nanowire tunneling field-effect transistors have a stronger impact on the onset voltage of the tunneling current in comparison with planar TFETs. On the other hand, the value of the onset voltage is found to be overestimated when the valence band nonparabolicity is ignored. (C) 2013 AIP Publishing LLC.  
  Address  
  Corporate Author Thesis  
  Publisher American Institute of Physics Place of Publication New York, N.Y. Editor  
  Language Wos 000319294100093 Publication Date 2013-05-10  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0021-8979; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.068 Times cited 4 Open Access  
  Notes (up) ; This work was supported by the Flemish Science Foundation (FWO-VI), and the Interuniversity Attraction Poles, Belgium State, Belgium Science Policy, and IMEC. ; Approved Most recent IF: 2.068; 2013 IF: 2.185  
  Call Number UA @ lucian @ c:irua:109651 Serial 2599  
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Author Zarenia, M.; Pereira, J.M., Jr.; Peeters, F.M.; Farias, G.A. url  doi
openurl 
  Title Snake states in graphene quantum dots in the presence of a p-n junction Type A1 Journal article
  Year 2013 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 87 Issue 3 Pages 035426  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We investigate the magnetic interface states of graphene quantum dots that contain p-n junctions. Within a tight-binding approach, we consider rectangular quantum dots in the presence of a perpendicular magnetic field containing p-n as well as p-n-p and n-p-n junctions. The results show the interplay between the edge states associated with the zigzag terminations of the sample and the snake states that arise at the p-n junction due to the overlap between electron and hole states at the potential interface. Remarkable localized states are found at the crossing of the p-n junction with the zigzag edge having a dumb-bell-shaped electron distribution. The results are presented as a function of the junction parameters and the applied magnetic flux. DOI: 10.1103/PhysRevB.87.035426  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000313941000003 Publication Date 2013-01-29  
  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 16 Open Access  
  Notes (up) ; This work was supported by the Flemish Science Foundation (FWO-VI), the European Science Foundation (ESF) under the EUROCORES program EuroGRAPHENE (project CONGRAN), the Brazilian agency CNPq (Pronex), and the bilateral projects between Flanders and Brazil and the collaboration project FWO-CNPq. ; Approved Most recent IF: 3.836; 2013 IF: 3.664  
  Call Number UA @ lucian @ c:irua:110087 Serial 3048  
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Author Esfahani, D.N.; Covaci, L.; Peeters, F.M. url  doi
openurl 
  Title Field effect on surface states in a doped Mott-insulator thin film Type A1 Journal article
  Year 2013 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 87 Issue 3 Pages 035131-35136  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Surface effects of a doped thin film made of a strongly correlated material are investigated both in the absence and presence of a perpendicular electric field. We use an inhomogeneous Gutzwiller approximation for a single-band Hubbard model in order to describe correlation effects. For low doping, the bulk value of the quasiparticle weight is recovered exponentially deep into the slab, but with increasing doping, additional Friedel oscillations appear near the surface. We show that the inverse correlation length has a power-law dependence on the doping level. In the presence of an electrical field, considerable changes in the quasiparticle weight can be realized throughout the system. We observe a large difference (as large as five orders of magnitude) in the quasiparticle weight near the opposite sides of the slab. This effect can be significant in switching devices that use the surface states for transport. DOI: 10.1103/PhysRevB.87.035131  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000313941000001 Publication Date 2013-01-29  
  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 4 Open Access  
  Notes (up) ; This work was supported by the Flemish Science Foundation (FWO-VI). ; Approved Most recent IF: 3.836; 2013 IF: 3.664  
  Call Number UA @ lucian @ c:irua:110086 Serial 1190  
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Author Shakouri, K.; Masir, M.R.; Jellal, A.; Choubabi, E.B.; Peeters, F.M. url  doi
openurl 
  Title Effect of spin-orbit couplings in graphene with and without potential modulation Type A1 Journal article
  Year 2013 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 88 Issue 11 Pages 115408-115409  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We investigate the effect of Rashba and intrinsic spin-orbit couplings on the electronic properties and spin configurations of Dirac fermions confined in: (i) a flat graphene sheet, (ii) a graphene wire with p-n-p structure, and (iii) a superlattice of graphene wires. The interplay between the spin-orbit interaction mechanisms breaks the electron-hole symmetry and the spin configuration induced by Rashba spin-orbit coupling lacks inversion symmetry in k space. We show that the Rashba spin-orbit interaction doubles the Fabry-Perot resonant modes in the transmission spectrum of a graphene wire and opens new channels for the electron transmission. Moreover, it leads to the appearance of spin split extra Dirac cones in the energy spectrum of a graphene superlattice. It is shown that the spin of the electrons and holes confined in a flat graphene sheet is always perpendicular to their motion while this is not the case for the other nanostructures.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000323944600005 Publication Date 2013-09-05  
  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 36 Open Access  
  Notes (up) ; This work was supported by the Flemish Science Foundation (FWO-Vl) and the European Science Foundation (ESF) under the EUROCORES Program EuroGRAPHENE within the project CONGRAN. The generous support provided by the Saudi Center for Theoretical Physics (SCTP) is highly appreciated by A.J. and E.B.C. They also thank the Deanship of Scientific Research at King Faisal University for funding this work under the Project No. 130193. ; Approved Most recent IF: 3.836; 2013 IF: 3.664  
  Call Number UA @ lucian @ c:irua:110716 Serial 836  
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Author Sivek, J.; Sahin, H.; Partoens, B.; Peeters, F.M. url  doi
openurl 
  Title Adsorption and absorption of boron, nitrogen, aluminum, and phosphorus on silicene : stability and electronic and phonon properties Type A1 Journal article
  Year 2013 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 87 Issue 8 Pages 085444-85448  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Ab initio calculations within the density-functional theory formalism are performed to investigate the chemical functionalization of a graphene-like monolayer of siliconsilicenewith B, N, Al, or P atoms. The structural, electronic, magnetic, and vibrational properties are reported. The most preferable adsorption sites are found to be valley, bridge, valley and hill sites for B, N, Al, and P adatoms, respectively. All the relaxed systems with adsorbed/substituted atoms exhibit metallic behavior with strongly bonded B, N, Al, and P atoms accompanied by an appreciable electron transfer from silicene to the B, N, and P adatom/substituent. The Al atoms exhibit opposite charge transfer, with n-type doping of silicene and weaker bonding. The adatoms/substituents induce characteristic branches in the phonon spectrum of silicene, which can be probed by Raman measurements. Using molecular dynamics, we found that the systems under study are stable up to at least T=500 K. Our results demonstrate that silicene has a very reactive and functionalizable surface.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000315482900007 Publication Date 2013-02-27  
  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 169 Open Access  
  Notes (up) ; 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. H.S. is supported by a FWO Pegasus Marie Curie Fellowship. ; Approved Most recent IF: 3.836; 2013 IF: 3.664  
  Call Number UA @ lucian @ c:irua:107071 Serial 60  
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Author Sahin, H.; Sivek, J.; Li, S.; Partoens, B.; Peeters, F.M. url  doi
openurl 
  Title Stone-Wales defects in silicene : formation, stability, and reactivity of defect sites Type A1 Journal article
  Year 2013 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 88 Issue 4 Pages 045434-45436  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract During the synthesis of ultrathin materials with hexagonal lattice structure Stone-Wales (SW) type of defects are quite likely to be formed and the existence of such topological defects in the graphenelike structures results in dramatic changes of their electronic and mechanical properties. Here we investigate the formation and reactivity of such SW defects in silicene. We report the energy barrier for the formation of SW defects in freestanding (similar to 2.4 eV) and Ag(111)-supported (similar to 2.8 eV) silicene and found it to be significantly lower than in graphene (similar to 9.2 eV). Moreover, the buckled nature of silicene provides a large energy barrier for the healing of the SW defect and therefore defective silicene is stable even at high temperatures. Silicene with SW defects is semiconducting with a direct band gap of 0.02 eV and this value depends on the concentration of defects. Furthermore, nitrogen substitution in SW-defected silicene shows that the defect lattice sites are the least preferable substitution locations for the N atoms. Our findings show the easy formation of SW defects in silicene and also provide a guideline for band gap engineering in silicene-based materials through such defects.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000322113300007 Publication Date 2013-07-23  
  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 93 Open Access  
  Notes (up) ; 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. H.S. is supported by a FWO Pegasus Marie Curie Fellowship. ; Approved Most recent IF: 3.836; 2013 IF: 3.664  
  Call Number UA @ lucian @ c:irua:109805 Serial 3162  
Permanent link to this record
 

 
Author Neek-Amal, M.; Sadeghi, A.; Berdiyorov, G.R.; Peeters, F.M. doi  openurl
  Title Realization of free-standing silicene using bilayer graphene Type A1 Journal article
  Year 2013 Publication Applied physics letters Abbreviated Journal Appl Phys Lett  
  Volume 103 Issue 26 Pages 261904-4  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The available synthesized silicene-like structures have been only realized on metallic substrates which are very different from the standalone buckled silicene, e. g., the Dirac cone of silicene is destroyed due to lattice distortion and the interaction with the substrate. Using graphene bilayer as a scaffold, a route is proposed to synthesize silicene with electronic properties decoupled from the substrate. The buckled hexagonal arrangement of silicene between the graphene layers is found to be very similar to the theoretically predicted standalone buckled silicene which is only very weakly van der Waals coupled to the graphene layers with a graphite-like interlayer distance of 3.42 angstrom and without any lattice distortion. We found that these stacked layers are stable well above room temperature. (C) 2013 AIP Publishing LLC.  
  Address  
  Corporate Author Thesis  
  Publisher American Institute of Physics Place of Publication New York, N.Y. Editor  
  Language Wos 000329977400022 Publication Date 2013-12-26  
  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 74 Open Access  
  Notes (up) ; 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; 2013 IF: 3.515  
  Call Number UA @ lucian @ c:irua:114849 Serial 2837  
Permanent link to this record
 

 
Author Muñoz, W.A.; Covaci, L.; Peeters, F.M. url  doi
openurl 
  Title Tight-binding description of intrinsic superconducting correlations in multilayer graphene Type A1 Journal article
  Year 2013 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 87 Issue 13 Pages 134509-7  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Using highly efficient GPU-based simulations of the tight-binding Bogoliubov-de Gennes equations we solve self-consistently for the pair correlation in rhombohedral (ABC) and Bernal (ABA) multilayer graphene by considering a finite intrinsic s-wave pairing potential. We find that the two different stacking configurations have opposite bulk/surface behavior for the order parameter. Surface superconductivity is robust for ABC stacked multilayer graphene even at very low pairing potentials for which the bulk order parameter vanishes, in agreement with a recent analytical approach. In contrast, for Bernal stacked multilayer graphene, we find that the order parameter is always suppressed at the surface and that there exists a critical value for the pairing potential below which no superconducting order is achieved. We considered different doping scenarios and find that homogeneous doping strongly suppresses surface superconductivity while nonhomogeneous field-induced doping has a much weaker effect on the superconducting order parameter. For multilayer structures with hybrid stacking (ABC and ABA) we find that when the thickness of each region is small (few layers), high-temperature surface superconductivity survives throughout the bulk due to the proximity effect between ABC/ABA interfaces where the order parameter is enhanced. DOI: 10.1103/PhysRevB.87.134509  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000317390000006 Publication Date 2013-04-11  
  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 37 Open Access  
  Notes (up) ; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem funding of the Flemish Government. ; Approved Most recent IF: 3.836; 2013 IF: 3.664  
  Call Number UA @ lucian @ c:irua:108469 Serial 3660  
Permanent link to this record
 

 
Author Leenaerts, O.; Sahin, H.; Partoens, B.; Peeters, F.M. url  doi
openurl 
  Title First-principles investigation of B- and N-doped fluorographene Type A1 Journal article
  Year 2013 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 88 Issue 3 Pages 035434-35435  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The effect of substitutional doping of fluorographene with boron and nitrogen atoms on its electronic and magnetic properties is investigated using first-principles calculations. It is found that boron dopants can be readily incorporated in the fluorographene crystal where they act as shallow acceptors and cause hole doping, but no changes in the magnetic properties are observed. Nitrogen dopants act as deep donors and give rise to a magnetic moment, but the resulting system becomes chemically unstable. These results are opposite to what was found for substitutional doping of graphane, i.e., hydrogenated graphene, in which case B substituents induce magnetism and N dopants do not.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000322083700002 Publication Date 2013-07-22  
  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 16 Open Access  
  Notes (up) ; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem program of the Flemish government. H.S. is supported by a FWO Pegasus-long Marie Curie Fellowship. Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure), and the HPC infrastructure of the University of Antwerp (CalcUA), a division of the Flemish Supercomputer Center VSC. ; Approved Most recent IF: 3.836; 2013 IF: 3.664  
  Call Number UA @ lucian @ c:irua:109807 Serial 1210  
Permanent link to this record
 

 
Author Sahin, H.; Tongay, S.; Horzum, S.; Fan, W.; Zhou, J.; Li, J.; Wu, J.; Peeters, F.M. url  doi
openurl 
  Title Anomalous Raman spectra and thickness-dependent electronic properties of WSe2 Type A1 Journal article
  Year 2013 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 87 Issue 16 Pages 165409-6  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Typical Raman spectra of transition-metal dichalcogenides (TMDs) display two prominent peaks, E-2g and A(1g), that are well separated from each other. We find that these modes are degenerate in bulk WSe2 yielding one single Raman peak in contrast to other TMDs. As the dimensionality is lowered, the observed peak splits in two. In contrast, our ab initio calculations predict that the degeneracy is retained even for WSe2 monolayers. Interestingly, for minuscule biaxial strain, the degeneracy is preserved, but once the crystal symmetry is broken by a small uniaxial strain, the degeneracy is lifted. Our calculated phonon dispersion for uniaxially strained WSe2 shows a good match to the measured Raman spectrum, which suggests that uniaxial strain exists in WSe2 flakes, possibly induced during the sample preparation and/or as a result of the interaction between WSe2 and the substrate. Furthermore, we find that WSe2 undergoes an indirect-to-direct band-gap transition from bulk to monolayers, which is ubiquitous for semiconducting TMDs. These results not only allow us to understand the vibrational and electronic properties of WSe2, but also point to effects of the interaction between the monolayer TMDs and the substrate on the vibrational and electronic properties. DOI: 10.1103/PhysRevB.87.165409  
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  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000317195400007 Publication Date 2013-04-05  
  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 365 Open Access  
  Notes (up) ; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem programme of the Flemish government. Computational resources were partially provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). H. S. is supported by the FWO Pegasus Marie Curie Long Fellowship program. ; Approved Most recent IF: 3.836; 2013 IF: 3.664  
  Call Number UA @ lucian @ c:irua:108471 Serial 134  
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