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Author Martens, K.; Jeong, J.W.; Aetukuri, N.; Rettner, C.; Shukla, N.; Freeman, E.; Esfahani, D.N.; Peeters, F.M.; Topuria, T.; Rice, P.M.; Volodin, A.; Douhard, B.; Vandervorst, W.; Samant, M.G.; Datta, S.; Parkin, S.S.P.
  Title Field Effect and Strongly Localized Carriers in the Metal-Insulator Transition Material VO(2) Type A1 Journal article
  Year 2015 Publication Physical review letters Abbreviated Journal Phys Rev Lett
  Volume 115 Issue 115 Pages 196401
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract The intrinsic field effect, the change in surface conductance with an applied transverse electric field, of prototypal strongly correlated VO(2) has remained elusive. Here we report its measurement enabled by epitaxial VO(2) and atomic layer deposited high-kappa dielectrics. Oxygen migration, joule heating, and the linked field-induced phase transition are precluded. The field effect can be understood in terms of field-induced carriers with densities up to approximately 5x10(13) cm(-2) which are trongly localized, as shown by their low, thermally activated mobility ( approximately 1x10(-3) cm(2)/V s at 300 K). These carriers show behavior consistent with that of Holstein polarons and strongly impact the (opto)electronics of VO(2).
  Address IBM Research-Almaden, San Jose, California 95120, USA
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language English Wos 000364024800013 Publication Date 2015-11-05
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0031-9007 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 8.462 Times cited (up) 28 Open Access
  Notes ; The authors acknowledge B. Hughes, K. Roche, L. Gao, C. Lada, J. Van Houdt, M. Heyns, J. P. Locquet, J. Delmotte, L. Krupp, L. Clark, and FWO (K. M.). S. D. and N. S. acknowledge LEAST (Low Energy Systems Technology), one of six SRC STARnet Centers, sponsored by MARCO/DARPA, for financial support. ; Approved Most recent IF: 8.462; 2015 IF: 7.512
  Call Number c:irua:129547 Serial 4051
Permanent link to this record
 

 
Author Mulkers, J.; Milošević, M.V.; Van Waeyenberge, B.
  Title Cycloidal versus skyrmionic states in mesoscopic chiral magnets Type A1 Journal article
  Year 2016 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
  Volume 93 Issue 93 Pages 214405
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract When subjected to the interfacially induced Dzyaloshinskii-Moriya interaction, the ground state in thin ferromagnetic films with high perpendicular anisotropy is cycloidal. The period of this cycloidal state depends on the strength of the Dzyaloshinskii-Moriya interaction. In this work, we have studied the effect of confinement on the magnetic ground state and excited states, and we determined the phase diagram of thin strips and thin square platelets by means of micromagnetic calculations. We show that multiple cycloidal states with different periods can be stable in laterally confined films, where the period of the cycloids does not depend solely on the Dzyaloshinskii-Moriya interaction strength but also on the dimensions of the film. The more complex states comprising skyrmions are also found to be stable, though with higher energy.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000377298600006 Publication Date 2016-06-06
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.836 Times cited (up) 28 Open Access
  Notes ; ; Approved Most recent IF: 3.836
  Call Number c:irua:133919 Serial 4081
Permanent link to this record
 

 
Author Fernández Becerra, V.; Sardella, E.; Peeters, F.M.; Milošević, M.V.
  Title Vortical versus skyrmionic states in mesoscopic p-wave superconductors Type A1 Journal article
  Year 2016 Publication Physical review B Abbreviated Journal Phys Rev B
  Volume 93 Issue 93 Pages 014518
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract We investigate the superconducting states that arise as a consequence of mesoscopic confinement and a multicomponent order parameter in the Ginzburg-Landau model for p-wave superconductivity. Conventional vortices, but also half-quantum vortices and skyrmions, are found as the applied magnetic field and the anisotropy parameters of the Fermi surface are varied. The solutions are well differentiated by a topological charge that for skyrmions is given by the Hopf invariant and for vortices by the circulation of the superconducting velocity. We revealed several unique states combining vortices and skyrmions, their possible reconfiguration with varied magnetic field, as well as temporal and field-induced transitions between vortical and skyrmionic states.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000369217400004 Publication Date 2016-01-29
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2469-9950;2469-9969; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.836 Times cited (up) 28 Open Access
  Notes ; This work was supported by the Research Foundation – Flanders (FWO). E.S. acknowledges support from the Fundacao de Amparo a Pesquisa do Estado de Sao Paulo (FAPESP). ; Approved Most recent IF: 3.836
  Call Number UA @ lucian @ c:irua:131581 Serial 4275
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Author Tran, T.L.A.; Çakir, D.; Wong, P.K.J.; Preobrajenski, A.B.; Brocks, G.; van der Wiel, W.G.; de Jong, M.P.
  Title Magnetic properties of bcc-Fe(001)/C-60 interfaces for organic spintronics Type A1 Journal article
  Year 2013 Publication Acs Applied Materials & Interfaces Abbreviated Journal Acs Appl Mater Inter
  Volume 5 Issue 3 Pages 837-841
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract The magnetic structure of the interfaces between organic semiconductors and ferromagnetic contacts plays a key role in the spin injection and extraction processes in organic spintronic devices. We present a combined computational (density functional theory) and experimental (X-ray magnetic circular dichroism) study on the magnetic properties of interfaces between bcc-Fe(001) and C-60 molecules. C-60 is an interesting candidate for application in organic spintronics due to the absence of hydrogen atoms and the associated hyperfine fields. Adsorption of C-60 on Fe(001) reduces the magnetic moments on the top Fe layers by similar to 6%, while inducing an antiparrallel magnetic moment of similar to-0.2 mu(B) on C-60. Adsorption of C-60 on a model ferromagnetic substrate consisting of three Fe monolayers on W(001) leads to a different structure but to very similar interface magnetic properties.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000315079700050 Publication Date 2013-01-10
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1944-8244 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 7.504 Times cited (up) 28 Open Access
  Notes ; The authors acknowledge support from the European project MINOTOR (Grant No. FP7-NMP-228424), the European Research Council (ERC Starting Grant No. 280020), and the NWO VIDI program (Grant No. 10246). The use of supercomputer facilities was sponsored by the “Stichting Nationale Computerfaciliteiten (NCF)”, financially supported by the “Nederlandse Organisatie voor Wetenschappelijk Onderzoek (NWO)”. ; Approved Most recent IF: 7.504; 2013 IF: 5.900
  Call Number UA @ lucian @ c:irua:128326 Serial 4599
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Author Li, L.L.; Moldovan, D.; Xu, W.; Peeters, F.M.
  Title Electronic properties of bilayer phosphorene quantum dots in the presence of perpendicular electric and magnetic fields Type A1 Journal article
  Year 2017 Publication Physical review B Abbreviated Journal Phys Rev B
  Volume 96 Issue 15 Pages 155425
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract Using the tight-binding approach, we investigate the electronic properties of bilayer phosphorene (BLP) quantum dots (QDs) in the presence of perpendicular electric and magnetic fields. Since BLP consists of two coupled phosphorene layers, it is of interest to examine the layer-dependent electronic properties of BLP QDs, such as the electronic distributions over the two layers and the so-produced layer-polarization features, and to see how these properties are affected by the magnetic field and the bias potential. We find that in the absence of a bias potential only edge states are layer polarized while the bulk states are not, and the layer-polarization degree (LPD) of the unbiased edge states increases with increasing magnetic field. However, in the presence of a bias potential both the edge and bulk states are layer polarized, and the LPD of the bulk (edge) states depends strongly (weakly) on the interplay of the bias potential and the interlayer coupling. At high magnetic fields, applying a bias potential renders the bulk electrons in a BLP QD to be mainly distributed over the top or bottom layer, resulting in layer-polarized bulk Landau levels (LLs). In the presence of a large bias potential that can drive a semiconductor-to-semimetal transition in BLP, these bulk LLs exhibit different magnetic-field dependences, i.e., the zeroth LLs exhibit a linearlike dependence on the magnetic field while the other LLs exhibit a square-root-like dependence.
  Address
  Corporate Author Thesis
  Publisher American Physical Society Place of Publication New York, N.Y Editor
  Language Wos 000412699800005 Publication Date 2017-10-10
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.836 Times cited (up) 28 Open Access
  Notes ; This work was financially supported by the Flemish Science Foundation (FWO-Vl), the National Natural Science Foundation of China (Grant No. 11574319), and the Chinese Academy of Sciences. ; Approved Most recent IF: 3.836
  Call Number UA @ lucian @ c:irua:146686 Serial 4782
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Author Kong, X.; Li, L.; Leenaerts, O.; Wang, W.; Liu, X.-J.; Peeters, F.M.
  Title Quantum anomalous Hall effect in a stable 1T-YN2 monolayer with a large nontrivial bandgap and a high Chern number Type A1 Journal article
  Year 2018 Publication Nanoscale Abbreviated Journal Nanoscale
  Volume 10 Issue 17 Pages 8153-8161
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
  Abstract The quantum anomalous Hall (QAH) effect is a topologically nontrivial phase, characterized by a non-zero Chern number defined in the bulk and chiral edge states in the boundary. Using first-principles calculations, we demonstrate the presence of the QAH effect in a 1T-YN2 monolayer, which was recently predicted to be a Dirac half metal without spin-orbit coupling (SOC). We show that the inclusion of SOC opens up a large nontrivial bandgap of nearly 0.1 eV in the electronic band structure. This results in the nontrivial bulk topology, which is confirmed by the calculation of Berry curvature, anomalous Hall conductance and the presence of chiral edge states. Remarkably, a QAH phase of high Chern number C = 3 is found, and there are three corresponding gapless chiral edge states emerging inside the bulk gap. Different substrates are also chosen to study the possible experimental realization of the 1T-YN2 monolayer, while retaining its nontrivial topological properties. Our results open a new avenue in searching for QAH insulators with high temperature and high Chern numbers, which can have nontrivial practical applications.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Cambridge Editor
  Language Wos 000432261400033 Publication Date 2018-03-28
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2040-3364 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 7.367 Times cited (up) 28 Open Access
  Notes ; This work was supported by the Ministry of Science and Technology of China (MOST) (Grant No. 2016YFA0301604), the National Natural Science Foundation of China (NSFC) (No. 11574008), the Thousand-Young-Talent Program of China, the Fonds voor Wetenschappelijk Onderzoek (FWO-Vl) and the FLAG-ERA project TRANS 2D TMD. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center), funded by the Research Foundation – Flanders (FWO) and the Flemish Government department EWI, and the National Supercomputing Center in Tianjin, funded by the Collaborative Innovation Center of Quantum Matter. W. Wang acknowledges financial support from the National Natural Science Foundation of China (Grant No. 11404214) and the China Scholarship Council (CSC). ; Approved Most recent IF: 7.367
  Call Number UA @ lucian @ c:irua:151519UA @ admin @ c:irua:151519 Serial 5040
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Author Sun, P.Z.; Yagmurcukardes, M.; Zhang, R.; Kuang, W.J.; Lozada-Hidalgo, M.; Liu, B.L.; Cheng, H.-M.; Wang, F.C.; Peeters, F.M.; Grigorieva, I.V.; Geim, A.K.
  Title Exponentially selective molecular sieving through angstrom pores Type A1 Journal article
  Year 2021 Publication Nature Communications Abbreviated Journal Nat Commun
  Volume 12 Issue 1 Pages 7170
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
  Abstract Two-dimensional crystals with angstrom-scale pores are widely considered as candidates for a next generation of molecular separation technologies aiming to provide extreme, exponentially large selectivity combined with high flow rates. No such pores have been demonstrated experimentally. Here we study gas transport through individual graphene pores created by low intensity exposure to low kV electrons. Helium and hydrogen permeate easily through these pores whereas larger species such as xenon and methane are practically blocked. Permeating gases experience activation barriers that increase quadratically with molecules' kinetic diameter, and the effective diameter of the created pores is estimated as similar to 2 angstroms, about one missing carbon ring. Our work reveals stringent conditions for achieving the long sought-after exponential selectivity using porous two-dimensional membranes and suggests limits on their possible performance. Two-dimensional membranes with angstrom-sized pores are predicted to combine high permeability with exceptional selectivity, but experimental demonstration has been challenging. Here the authors realize angstrom-sized pores in monolayer graphene and demonstrate gas transport with activation barriers increasing quadratically with the molecular kinetic diameter.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000728562700016 Publication Date 2021-12-09
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2041-1723 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 12.124 Times cited (up) 28 Open Access OpenAccess
  Notes Approved Most recent IF: 12.124
  Call Number UA @ admin @ c:irua:184840 Serial 6989
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Author Vasilopoulos, P.; Kálmán, O.; Peeters, F.M.; Benedict, M.G.
  Title Aharonov-Bohm oscillations in a mesoscopic ring with asymmetric arm-dependent injection Type A1 Journal article
  Year 2007 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
  Volume 75 Issue 3 Pages 035304,1-7
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Lancaster, Pa Editor
  Language Wos 000243895400086 Publication Date 2007-01-05
  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 (up) 29 Open Access
  Notes Approved Most recent IF: 3.836; 2007 IF: 3.172
  Call Number UA @ lucian @ c:irua:63751 Serial 86
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Author Grujić, M.; Tadić, M.; Peeters, F.M.
  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 (up) 29 Open Access
  Notes ; 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 Zarenia, M.; Partoens, B.; Chakraborty, T.; Peeters, F.M.
  Title Electron-electron interactions in bilayer graphene quantum dots Type A1 Journal article
  Year 2013 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
  Volume 88 Issue 24 Pages 245432-245435
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract A parabolic quantum dot (QD) as realized by biasing nanostructured gates on bilayer graphene is investigated in the presence of electron-electron interaction. The energy spectrum and the phase diagram reveal unexpected transitions as a function of a magnetic field. For example, in contrast to semiconductor QDs, we find a valley transition rather than only the usual singlet-triplet transition in the ground state of the interacting system. The origin of these features can be traced to the valley degree of freedom in bilayer graphene. These transitions have important consequences for cyclotron resonance experiments.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000328688600010 Publication Date 2014-01-09
  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 (up) 29 Open Access
  Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl), the European Science Foundation (ESF) under the EUROCORES program EuroGRAPHENE (project CONGRAN), and the Methusalem foundation of the Flemish Government. T. C. is supported by the Canada Research Chairs program of the Government of Canada. ; Approved Most recent IF: 3.836; 2013 IF: 3.664
  Call Number UA @ lucian @ c:irua:113698 Serial 926
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Author Reijniers, J.; Peeters, F.M.; Matulis, A.
  Title Electron scattering on circular symmetric magnetic profiles in a two-dimensional electron gas Type A1 Journal article
  Year 2001 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
  Volume 64 Issue Pages 245314
  Keywords A1 Journal article; Condensed Matter Theory (CMT); Engineering Management (ENM)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Lancaster, Pa Editor
  Language Wos 000173082500066 Publication Date 2002-07-27
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0163-1829;1095-3795; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.836 Times cited (up) 29 Open Access
  Notes Approved Most recent IF: 3.836; 2001 IF: NA
  Call Number UA @ lucian @ c:irua:37277 Serial 985
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Author Szafran, B.; Peeters, F.M.; Bednarek, S.
  Title Electron spin and charge switching in a coupled quantum-dot.quantum ring system Type A1 Journal article
  Year 2004 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
  Volume 70 Issue Pages 12310,1-9
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Lancaster, Pa Editor
  Language Wos 000224209600049 Publication Date 2004-09-17
  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 (up) 29 Open Access
  Notes Approved Most recent IF: 3.836; 2004 IF: 3.075
  Call Number UA @ lucian @ c:irua:69391 Serial 986
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Author Shanenko, A.A.; Croitoru, M.D.; Vagov, A.; Peeters, F.M.
  Title Giant drop in the Bardeen-Cooper-Schrieffer coherence length induced by quantum size effects in superconducting nanowires Type A1 Journal article
  Year 2010 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
  Volume 82 Issue 10 Pages 104524-104524,6
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract The BCS coherence length in low-dimensional superconductors is dramatically modified by quantum-size effects. In particular, for nanowires made of conventional superconducting materials, we show that the longitudinal zero-temperature coherence length exhibits width-dependent drops by 23 orders of magnitude each time when the bottom of one of single-electron subbands formed due to the transverse quantization of electron motion is situated in a close vicinity to the Fermi level. This phenomenon has strong similarities to the well-known BCS-BEC (Bose-Einstein condensation) crossover in ultracold fermionic condensates but with an important exception: it is driven by the transverse quantization of the electron motion rather than by the externally controlled strength of the fermion-fermion interaction.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000282269600005 Publication Date 2010-09-29
  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 (up) 29 Open Access
  Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl), the Belgian Science Policy (IAP), and the ESF-network: INSTANS. M. D. C. acknowledges support from the Alexander von Humboldt Foundation. A. A. S. thanks R. G. Mints, W. V. Pogosov, D. Y. Vodolazov, A. Perali, and A. Bianconi for fruitful discussions. ; Approved Most recent IF: 3.836; 2010 IF: 3.774
  Call Number UA @ lucian @ c:irua:85419 Serial 1337
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Author Pereira, J.M.; Peeters, F.M.; Vasilopoulos, P.; Costa Filho, R.N.; Farias, G.A.
  Title Landau levels in graphene bilayer quantum dots Type A1 Journal article
  Year 2009 Publication Physical review : B : solid state Abbreviated Journal Phys Rev B
  Volume 79 Issue 19 Pages 195403,1-195403,5
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract We investigate localized electron and hole states in parabolic quantum dots of biased graphene bilayers in the presence of a perpendicular magnetic field. These quantum dots can be created by means of nanostructured gates or by position-dependent doping, which can create a gap in the otherwise gapless dispersion of a graphene bilayer. Numerical results show the energy levels of confined electrons and holes as a function of the dot parameters and the magnetic field. Remarkable crossings of energy levels are found.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Lancaster, Pa Editor
  Language Wos 000266501300102 Publication Date 2009-05-05
  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 (up) 29 Open Access
  Notes Approved Most recent IF: 3.836; 2009 IF: 3.475
  Call Number UA @ lucian @ c:irua:77401 Serial 1774
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Author Zhang, Y.; Fischetti, M.V.; Sorée, B.; Magnus, W.; Heyns, M.; Meuris, M.
  Title Physical modeling of strain-dependent hole mobility in Ge p-channel inversion layers Type A1 Journal article
  Year 2009 Publication Journal of applied physics Abbreviated Journal J Appl Phys
  Volume 106 Issue 8 Pages 083704,1-083704,9
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract We present comprehensive calculations of the low-field hole mobility in Ge p-channel inversion layers with SiO2 insulator using a six-band k·p band-structure model. The cases of relaxed, biaxially, and uniaxially (both tensily and compressively) strained Ge are studied employing an efficient self-consistent methodmaking use of a nonuniform spatial mesh and of the Broyden second methodto solve the coupled envelope-wave function k·p and Poisson equations. The hole mobility is computed using the KuboGreenwood formalism accounting for nonpolar hole-phonon scattering and scattering with interfacial roughness. Different approximations to handle dielectric screening are also investigated. As our main result, we find a large enhancement (up to a factor of 10 with respect to Si) of the mobility in the case of uniaxial compressive stress similarly to the well-known case of Si. Comparison with experimental data shows overall qualitative agreement but with significant deviations due mainly to the unknown morphology of the rough Ge-insulator interface, to additional scattering with surface optical phonon from the high- insulator, to Coulomb scattering interface traps or oxide chargesignored in our calculationsand to different channel structures employed.
  Address
  Corporate Author Thesis
  Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
  Language Wos 000271358100050 Publication Date 2009-10-20
  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 (up) 29 Open Access
  Notes Approved Most recent IF: 2.068; 2009 IF: 2.072
  Call Number UA @ lucian @ c:irua:80137 Serial 2617
Permanent link to this record
 

 
Author Aierken, Y.; Sahin, H.; Iyikanat, F.; Horzum, S.; Suslu, A.; Chen, B.; Senger, R.T.; Tongay, S.; Peeters, F.M.
  Title Portlandite crystal : bulk, bilayer, and monolayer structures Type A1 Journal article
  Year 2015 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
  Volume 91 Issue 91 Pages 245413
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract Ca(OH)(2) crystals, well known as portlandite, are grown in layered form, and we found that they can be exfoliated on different substrates. We performed first principles calculations to investigate the structural, electronic, vibrational, and mechanical properties of bulk, bilayer, and monolayer structures of this material. Different from other lamellar structures such as graphite and transition-metal dichalcogenides, intralayer bonding in Ca(OH)(2) is mainly ionic, while the interlayer interaction remains a weak dispersion-type force. Unlike well-known transition-metal dichalcogenides that exhibit an indirect-to-direct band gap crossover when going from bulk to a single layer, Ca(OH)(2) is a direct band gap semiconductor independent of the number layers. The in-plane Young's modulus and the in-plane shear modulus of monolayer Ca(OH)(2) are predicted to be quite low while the in-plane Poisson ratio is larger in comparison to those in the monolayer of ionic crystal BN. We measured the Raman spectrum of bulk Ca(OH)(2) and identified the high-frequency OH stretching mode A(1g) at 3620 cm(-1). In this study, bilayer and monolayer portlandite [Ca(OH)(2)] are predicted to be stable and their characteristics are analyzed in detail. Our results can guide further research on ultrathin hydroxites.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000356135600007 Publication Date 2015-06-12
  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 (up) 29 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: 3.836; 2015 IF: 3.736
  Call Number c:irua:126983 Serial 2675
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Author Peeters, F.M.; Devreese, J.T.; Verbist, G.
  Title Possible (bi) polaron effects in the high-tc superconductors Type A1 Journal article
  Year 1991 Publication Physica scripta T2 – 11TH General Conf. Of the Condensed Matter Division of the European Physical Society, April 08-11, 1991, Exeter, England Abbreviated Journal Phys Scripta
  Volume T39 Issue Pages 66-70
  Keywords A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems
  Abstract In the present paper, the theory of the large bipolaron is reviewed and the possibility of bipolaron formation in the high-T(c) superconductors is indicated. Operator and path-integral formulations of the large bipolaron problem are compared. In the strong-coupling limit, the effect of non-optimal upper-bounds to the single-polaron groundstate energy is emphasized. The fact that the interaction with multiple phonon branches enhances the electron-phonon interaction and might result in a larger stability region for bipolaron formation is indicated. Experimental values for the static and high-frequency dielectric constants are used to discuss the relevance of bipolaron formation as a pair-forming mechanism in the high-T(c) superconductors.
  Address
  Corporate Author Thesis
  Publisher Royal Swedish Acad. Sciences Place of Publication Stockholm Editor
  Language Wos A1991GV57300008 Publication Date 2007-01-26
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0031-8949;1402-4896; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 1.126 Times cited (up) 29 Open Access
  Notes Approved no
  Call Number UA @ lucian @ c:irua:95974 Serial 2683
Permanent link to this record
 

 
Author Nowak, M.P.; Szafran, B.; Peeters, F.M.
  Title Resonant harmonic generation and collective spin rotations in electrically driven quantum dots Type A1 Journal article
  Year 2012 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
  Volume 86 Issue 12 Pages 125428
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract Spin rotations induced by an ac electric field in a two-electron double quantum dot are studied by an exact numerical solution of the time-dependent Schrodinger equation in the context of recent electric-dipole spin resonance experiments on gated nanowires. We demonstrate that the splitting of the main resonance line by the spin exchange coupling is accompanied by the appearance of fractional resonances and that both these effects are triggered by interdot tunnel coupling. We find that the ac-driven system generates residual but distinct harmonics of the driving frequency, which are amplified when tuned to the main transition frequency. The mechanism is universal for electron systems in electrically driven potentials and works also in the absence of electron-electron interaction or spin-orbit coupling.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000308867300005 Publication Date 2012-09-21
  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 (up) 29 Open Access
  Notes ; This work was supported by funds of the Ministry of Science and Higher Education (MNiSW) for 2012-2013 under Project No. IP2011038671, and by PL-Grid Infrastructure. M.P.N. gratefully acknowledges support from the Foundation for Polish Science (FNP) under START and MPD program cofinanced by the EU European Regional Development Fund. ; Approved Most recent IF: 3.836; 2012 IF: 3.767
  Call Number UA @ lucian @ c:irua:101839 Serial 2885
Permanent link to this record
 

 
Author Szafran, B.; Peeters, F.M.
  Title Signatures of lateral coupling of double quantum dots in the exciton photoluminescence spectrum Type A1 Journal article
  Year 2007 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
  Volume 76 Issue Pages 195442,1-9
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Lancaster, Pa Editor
  Language Wos 000251326800147 Publication Date 2007-11-28
  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 (up) 29 Open Access
  Notes Approved Most recent IF: 3.836; 2007 IF: 3.172
  Call Number UA @ lucian @ c:irua:69663 Serial 2999
Permanent link to this record
 

 
Author Vodolazov, D.Y.; Baelus, B.J.; Peeters, F.M.
  Title Stationary-phase slip state in quasi-one-dimensional rings Type A1 Journal article
  Year 2002 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
  Volume 66 Issue 5 Pages 054531-54536
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract The nonuniform superconducting state in a ring in which the order parameter vanishing at one point is studied. This state is characterized by a jump of the phase by pi at the point where the order parameter becomes zero. In uniform rings such a state is a saddle-point state and consequently unstable. However, for nonuniform rings with, e.g., variations of geometrical or physical parameters or with attached wires this state can be stabilized and may be realized experimentally.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000177873000137 Publication Date 2002-10-01
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0163-1829;1095-3795; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.836 Times cited (up) 29 Open Access
  Notes Approved Most recent IF: 3.836; 2002 IF: NA
  Call Number UA @ lucian @ c:irua:104147 Serial 3152
Permanent link to this record
 

 
Author Lajevardipour, A.; Neek-Amal, M.; Peeters, F.M.
  Title Thermomechanical properties of graphene : valence force field model approach Type A1 Journal article
  Year 2012 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat
  Volume 24 Issue 17 Pages 175303-175303,8
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract Using the valence force field model of Perebeinos and Tersoff (2009 Phys. Rev. B 79 241409(R)), different energy modes of suspended graphene subjected to tensile or compressive strain are studied. By carrying out Monte Carlo simulations it is found that: (i) only for small strains (vertical bar epsilon vertical bar (sic) 0.02) is the total energy symmetrical in the strain, while it behaves completely differently beyond this threshold; (ii) the important energy contributions in stretching experiments are stretching, angle bending, an out-of-plane term, and a term that provides repulsion against pi-pi misalignment; (iii) in compressing experiments the two latter terms increase rapidly, and beyond the buckling transition stretching and bending energies are found to be constant; (iv) from stretching-compressing simulations we calculated the Young's modulus at room temperature 350 +/- 3.15 N m(-1), which is in good agreement with experimental results (340 +/- 50 N m(-1)) and with ab initio results (322-353) N m(-1); (v) molar heat capacity is estimated to be 24.64 J mol(-1) K-1 which is comparable with the Dulong-Petit value, i. e. 24.94 J mol(-1) K-1, and is almost independent of the strain; (vi) nonlinear scaling properties are obtained from height-height correlations at finite temperature; (vii) the used valence force field model results in a temperature independent bending modulus for graphene, and (viii) the Gruneisen parameter is estimated to be 0.64.
  Address
  Corporate Author Thesis
  Publisher Place of Publication London Editor
  Language Wos 000303499700012 Publication Date 2012-04-05
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0953-8984;1361-648X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.649 Times cited (up) 29 Open Access
  Notes ; We acknowledge helpful comments by V Perebeinos, S Costamagna, A Fasolino and J H Los. This work was supported by the Flemish science foundation (FWO-Vl) and the Belgium Science Policy (IAP). ; Approved Most recent IF: 2.649; 2012 IF: 2.355
  Call Number UA @ lucian @ c:irua:99123 Serial 3639
Permanent link to this record
 

 
Author Xavier, L.J.P.; Pereira, J.M.; Chaves, A.; Farias, G.A.; Peeters, F.M.
  Title Topological confinement in graphene bilayer quantum rings Type A1 Journal article
  Year 2010 Publication Applied physics letters Abbreviated Journal Appl Phys Lett
  Volume 96 Issue 21 Pages 212108,1-212108,3
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract We find localized electron and hole states in a ring-shaped potential kink in biased bilayer graphene. Within the continuum description, we show that for sharp potential steps the Dirac equation describing carrier states close to the K (or K′) point of the first Brillouin zone can be solved analytically for a circular kink/antikink dot. The solutions exhibit interfacial states which exhibit AharonovBohm oscillations as functions of the height of the potential step and/or the radius of the ring.
  Address
  Corporate Author Thesis
  Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
  Language Wos 000278183200039 Publication Date 2010-05-28
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0003-6951; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.411 Times cited (up) 29 Open Access
  Notes ; This work was financially supported by CNPq, under Contract No. NanoBioEstruturas 555183/2005-0, FUNCAP, CAPES, the Bilateral program between Flanders and Brazil, the Belgian Science Policy (IAP) and the Flemish Science Foundation (FWO-Vl). ; Approved Most recent IF: 3.411; 2010 IF: 3.841
  Call Number UA @ lucian @ c:irua:83373 Serial 3675
Permanent link to this record
 

 
Author Zhao, H.J.; Misko, V.R.; Peeters, F.M.; Dubonos, G.; Oboznov, V.; Grigorieva, I.V.
  Title Vortex configurations in mesoscopic superconducting triangles: finite-size and shape effects Type A1 Journal article
  Year 2008 Publication Europhysics letters Abbreviated Journal Epl-Europhys Lett
  Volume 83 Issue 1 Pages 17008,1-17008,6
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract Triangular-shaped mesoscopic superconductors are consistent with the symmetry of the Abrikosov vortex lattice resulting in a high stability of vortex patterns for commensurate vorticities. However, for non-commensurate vorticities, vortex configurations in triangles are not compatible with the sample shape. Here we present the first direct observation of vortex configurations in ìm-sized niobium triangles using the Bitter decoration technique, and we analyze the vortex states in triangles by analytically solving the London equations and performing molecular-dynamics simulations. We found that filling rules with increasing vorticity can be formulated for triangles in a similar way as for mesoscopic disks where vortices form shells.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Paris Editor
  Language Wos 000259020300030 Publication Date 2008-06-17
  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 (up) 29 Open Access
  Notes Approved Most recent IF: 1.957; 2008 IF: 2.203
  Call Number UA @ lucian @ c:irua:76488 Serial 3863
Permanent link to this record
 

 
Author Jelić, Ž.L.; Milošević, M.V.; Van de Vondel, J.; Silhanek, A.V.
  Title Stroboscopic phenomena in superconductors with dynamic pinning landscape Type A1 Journal article
  Year 2015 Publication Scientific reports Abbreviated Journal Sci Rep-Uk
  Volume 5 Issue 5 Pages 14604
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
  Abstract Introducing artificial pinning centers is a well established strategy to trap quantum vortices and increase the maximal magnetic field and applied electric current that a superconductor can sustain without dissipation. In case of spatially periodic pinning, a clear enhancement of the superconducting critical current arises when commensurability between the vortex configurations and the pinning landscape occurs. With recent achievements in (ultrafast) optics and nanoengineered plasmonics it has become possible to exploit the interaction of light with superconductivity, and create not only spatially periodic imprints on the superconducting condensate, but also temporally periodic ones. Here we show that in the latter case, temporal matching phenomena develop, caused by stroboscopic commensurability between the characteristic frequency of the vortex motion under applied current and the frequency of the dynamic pinning. The matching resonances persist in a broad parameter space, including magnetic field, driving current, or material purity, giving rise to unusual features such as externally variable resistance/impedance and Shapiro steps in current-voltage characteristics. All features are tunable by the frequency of the dynamic pinning landscape. These findings open further exploration avenues for using flashing, spatially engineered, and/or mobile excitations on superconductors, permitting us to achieve advanced functionalities.
  Address Departement de Physique, Universite de Liege, Allee du 6-Aout 17, B-4000 Liege, Belgium
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language English Wos 000362082500001 Publication Date 2015-10-01
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2045-2322 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 4.259 Times cited (up) 29 Open Access
  Notes Acknowledgements: This work was supported by the Methusalem Funding of the Flemish Government, the Research Foundation-Flanders (FWO) and the COST Action MP1201. The work of Ž.L.J. and A.V.S. was partially supported by “Mandat d’Impulsion Scientifique” of the F.R.S.-FNRS. Approved Most recent IF: 4.259; 2015 IF: 5.578
  Call Number c:irua:129807 c:irua:129807 Serial 3980
Permanent link to this record
 

 
Author Sarmadian, N.; Saniz, R.; Partoens, B.; Lamoen, D.
  Title First-principles study of the optoelectronic properties and photovoltaic absorber layer efficiency of Cu-based chalcogenides Type A1 Journal article
  Year 2016 Publication Journal of applied physics Abbreviated Journal J Appl Phys
  Volume 120 Issue 120 Pages 085707
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
  Abstract Cu-based chalcogenides are promising materials for thin-film solar cells with more than 20% measured

cell efficiency. Using first-principles calculations based on density functional theory, the

optoelectronic properties of a group of Cu-based chalcogenides Cu2-II-IV-VI4 is studied. They are

then screened with the aim of identifying potential absorber materials for photovoltaic applications.

The spectroscopic limited maximum efficiency (SLME) introduced by Yu and Zunger [Phys. Rev.

Lett. 108, 068701 (2012)] is used as a metric for the screening. After constructing the currentvoltage

curve, the SLME is calculated from the maximum power output. The role of the nature of

the band gap, direct or indirect, and also of the absorptivity of the studied materials on the maximum

theoretical power conversion efficiency is studied. Our results show that Cu2II-GeSe4 with

II¼ Cd and Hg, and Cu2-II-SnS4 with II ¼ Cd, Hg, and Zn have a higher theoretical efficiency

compared with the materials currently used as absorber layer.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000383913400074 Publication Date 2016-08-30
  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 (up) 29 Open Access
  Notes We acknowledge the financial support from the FWO-Vlaanderen through project G.0150.13N and a GOA fund from the University of Antwerp. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center) and the HPC infrastructure of the University of Antwerp (CalcUA), bothfunded by the FWO-Vlaanderen and the Flemish Government–department EWI. Approved Most recent IF: 2.068
  Call Number c:irua:135089 Serial 4113
Permanent link to this record
 

 
Author Horzum, S.; Torun, E.; Serin, T.; Peeters, F.M.
  Title Structural, electronic and optical properties of Cu-doped ZnO : experimental and theoretical investigation Type A1 Journal article
  Year 2016 Publication Philosophical magazine Abbreviated Journal Philos Mag
  Volume 96 Issue 96 Pages 1743-1756
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
  Abstract Experiments are supplemented with ab initio density functional theory (DFT) calculations in order to investigate how the structural, electronic and optical properties of zinc oxide (ZnO) thin films are modified upon Cu doping. Changes in characteristic properties of doped thin films, that are deposited on a glass substrate by sol-gel dip coating technique, are monitored using X-ray diffraction (XRD) and UV measurements. Our ab initio calculations show that the electronic structure of ZnO can be well described by DFT+U/G(0)W(0) method and we find that Cu atom substitutional doping in ZnO is the most favourable case. Our XRD measurements reveal that the crystallite size of the films decrease with increasing Cu doping. Moreover, we determine the optical constants such as refractive index, extinction coefficient, optical dielectric function and optical energy band gap values of the films by means of UV-Vis transmittance spectra. The optical band gap of ZnO the thin film linearly decreases from 3.25 to 3.20 eV at 5% doping. In addition, our calculations reveal that the electronic defect states that stem from Cu atoms are not optically active and the optical band gap is determined by the ZnO band edges. Experimentally observed structural and optical results are in good agreement with our theoretical results.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000376076500002 Publication Date 2016-05-07
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1478-6435 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 1.505 Times cited (up) 29 Open Access
  Notes ; Theoretical part of 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. Experimental part of this work was supported by Ankara University BAP under Project Number [14B0443001]. ; Approved Most recent IF: 1.505
  Call Number UA @ lucian @ c:irua:134161 Serial 4254
Permanent link to this record
 

 
Author Grujić, M.M.; Ezawa, M.; Tadic, M.Z.; Peeters, F.M.
  Title Tunable skewed edges in puckered structures Type A1 Journal article
  Year 2016 Publication Physical review B Abbreviated Journal Phys Rev B
  Volume 93 Issue 93 Pages 245413
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract We propose a type of edges arising due to the anisotropy inherent in the puckered structure of a honeycomb system such as in phosphorene. Skewed-zigzag and skewed-armchair nanoribbons are semiconducting and metallic, respectively, in contrast to their normal edge counterparts. Their band structures are tunable, and a metal-insulator transition is induced by an electric field. We predict a field-effect transistor based on the edge states in skewed-armchair nanoribbons, where the edge state is gapped by applying arbitrary small electric field E-z. A topological argument is presented, revealing the condition for the emergence of such edge states.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000377802700010 Publication Date 2016-06-16
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2469-9950;2469-9969; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.836 Times cited (up) 29 Open Access
  Notes ; This work was supported by the Serbian Ministry of Education, Science and Technological Development, and the Flemish Science Foundation (FWO-Vl). M.E. is thankful for the support by the Grants-in-Aid for Scientific Research from MEXT KAKENHI (Grants No. 25400317 and No. 15H05854). ; Approved Most recent IF: 3.836
  Call Number UA @ lucian @ c:irua:134599 Serial 4268
Permanent link to this record
 

 
Author Michel, K.H.; Çakir, D.; Sevik, C.; Peeters, F.M.
  Title Piezoelectricity in two-dimensional materials : comparative study between lattice dynamics and ab initio calculations Type A1 Journal article
  Year 2017 Publication Physical review B Abbreviated Journal Phys Rev B
  Volume 95 Issue 95 Pages 125415
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract The elastic constant C-11 and piezoelectric stress constant e(1),(11) of two-dimensional (2D) dielectric materials comprising h-BN, 2H-MoS2, and other transition-metal dichalcogenides and dioxides are calculated using lattice dynamical theory. The results are compared with corresponding quantities obtained with ab initio calculations. We identify the difference between clamped-ion and relaxed-ion contributions with the dependence on inner strains which are due to the relative displacements of the ions in the unit cell. Lattice dynamics allows us to express the inner-strain contributions in terms of microscopic quantities such as effective ionic charges and optoacoustical couplings, which allows us to clarify differences in the piezoelectric behavior between h-BN and MoS2. Trends in the different microscopic quantities as functions of atomic composition are discussed.
  Address
  Corporate Author Thesis
  Publisher American Physical Society Place of Publication New York, N.Y Editor
  Language Wos 000396013400005 Publication Date 2017-03-11
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.836 Times cited (up) 29 Open Access
  Notes ; The authors acknowledge useful discussions with L. Wirtz and A. Molina-Sanchez. This work was supported by the Methusalem program and the Fonds voor Wetenschappelijk Onderzoek-Vlaanderen. Computational resources were provided by HPC infrastructure of the University of Antwerp (CalcUA), a division of the Flemish Supercomputer Center (VSC), which is funded by the Hercules foundation. ; Approved Most recent IF: 3.836
  Call Number UA @ lucian @ c:irua:142444 Serial 4603
Permanent link to this record
 

 
Author Cavalcante, L.S.; Chaves, A.; da Costa, D.R.; Farias, G.A.; Peeters, F.M.
  Title All-strain based valley filter in graphene nanoribbons using snake states Type A1 Journal article
  Year 2016 Publication Physical review B Abbreviated Journal Phys Rev B
  Volume 94 Issue 7 Pages 075432
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract A pseudomagnetic field kink can be realized along a graphene nanoribbon using strain engineering. Electron transport along this kink is governed by snake states that are characterized by a single propagation direction. Those pseudomagnetic fields point towards opposite directions in the K and K' valleys, leading to valley polarized snake states. In a graphene nanoribbon with armchair edges this effect results in a valley filter that is based only on strain engineering. We discuss how to maximize this valley filtering by adjusting the parameters that define the stress distribution along the graphene ribbon.
  Address
  Corporate Author Thesis
  Publisher American Physical Society Place of Publication New York, N.Y Editor
  Language Wos 000381889300002 Publication Date 2016-08-23
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.836 Times cited (up) 29 Open Access
  Notes ; Discussions with R. Grassi are gratefully acknowledged. This work was supported by the Brazilian Council for Research (CNPq), under the PRONEX/FUNCAP and Science Without Borders (SWB) programs, CAPES, the Lemann Foundation, and the Flemish Science Foundation (FWO-Vl). ; Approved Most recent IF: 3.836
  Call Number UA @ lucian @ c:irua:144667 Serial 4639
Permanent link to this record
 

 
Author Bafekry, A.; Stampfl, C.; Peeters, F.M.
  Title Dirac half-metallicity of thin PdCl₃ nanosheets : investigation of the effects of external fields, surface adsorption and defect engineering on the electronic and magnetic properties Type A1 Journal article
  Year 2020 Publication Scientific Reports Abbreviated Journal Sci Rep-Uk
  Volume 10 Issue 1 Pages 213-215
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
  Abstract PdCl3 belongs to a novel class of Dirac materials with Dirac spin-gapless semiconducting characteristics. In this paper based, on first-principles calculations, we have systematically investigated the effect of adatom adsorption, vacancy defects, electric field, strain, edge states and layer thickness on the electronic and magnetic properties of PdCl3 (palladium trichloride). Our results show that when spin-orbital coupling is included, PdCl3 exhibits the quantum anomalous Hall effect with a non-trivial band gap of 24 meV. With increasing number of layers, from monolayer to bulk, a transition occurs from a Dirac half-metal to a ferromagnetic metal. On application of a perpendicular electrical field to bilayer PdCl3, we find that the energy band gap decreases with increasing field. Uniaxial and biaxial strain, significantly modifies the electronic structure depending on the strain type and magnitude. Adsorption of adatom and topological defects have a dramatic effect on the electronic and magnetic properties of PdCl3. In particular, the structure can become a metal (Na), half-metal (Be, Ca, Al, Ti, V, Cr, Fe and Cu with, respective, 0.72, 9.71, 7.14, 6.90, 9.71, 4.33 and 9.5 μB magnetic moments), ferromagnetic-metal (Sc, Mn and Co with 4.55, 7.93 and 2.0 μB), spin-glass semiconductor (Mg, Ni with 3.30 and 8.63 μB), and dilute-magnetic semiconductor (Li, K and Zn with 9.0, 9.0 and 5.80 μB magnetic moment, respectively). Single Pd and double Pd + Cl vacancies in PdCl3 display dilute-magnetic semiconductor characteristics, while with a single Cl vacancy, the material becomes a half-metal. The calculated optical properties of PdCl3 suggest it could be a good candidate for microelectronic and optoelectronics devices.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000562795700001 Publication Date 2020-01-14
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2045-2322 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 4.6 Times cited (up) 29 Open Access
  Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl). We are thankful for comments by Sevil Sarikurt from the department of physics in Dokuz Eylul University. In addition, we acknowledge OpenMX team for OpenMX code. ; Approved Most recent IF: 4.6; 2020 IF: 4.259
  Call Number UA @ admin @ c:irua:169751 Serial 6483
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