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Author (down) 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 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
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Author (down) Kuskovsky, I.L.; MacDonald, W.; Govorov, A.O.; Mourokh, L.; Wei, X.; Tamargo, M.C.; Tadić, M.; Peeters, F.M.
Title Optical Aharonov-Bohm effect in stacked type-II quantum dots Type A1 Journal article
Year 2007 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 76 Issue Pages 035342,1-6
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000248500800117 Publication Date 2007-07-31
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 63 Open Access
Notes Approved Most recent IF: 3.836; 2007 IF: 3.172
Call Number UA @ lucian @ c:irua:69658 Serial 2470
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Author (down) Krugel, A.; Axt, V.M.; Kuhn, T.; Vagov, A.; Peeters, F.M.
Title Coherent nonlinear optical response of excitons and biexcitons in quantum dots coupled to phonons Type A1 Journal article
Year 2006 Publication Physica status solidi B – basic solid state physics Abbreviated Journal Phys Status Solidi B
Volume 243 Issue 10 Pages 2241-2246
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000239932300006 Publication Date 2006-08-15
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0370-1972;1521-3951; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.674 Times cited 1 Open Access
Notes Approved Most recent IF: 1.674; 2006 IF: 0.967
Call Number UA @ lucian @ c:irua:60892 Serial 380
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Author (down) Krstajie, P.M.; Peeters, F.M.
Title Energy-momentum dispersion relation of plasmarons in bilayer graphene Type A1 Journal article
Year 2013 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 88 Issue 16 Pages 165420-165424
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The relation between the energy and momentum of plasmarons in bilayer graphene is investigated within the Overhauser approach, where the electron-plasmon interaction is described as a field theoretical problem. We find that the Dirac-like spectrum is shifted by Delta E(k) similar to 100 divided by 150 meV depending on the electron concentration n(e) and electron momentum. The shift increases with electron concentration as the energy of plasmons becomes larger. The dispersion of plasmarons is more pronounced than in the case of single layer graphene, which is explained by the fact that the energy dispersion of electrons is quadratic and not linear. We expect that these predictions can be verified using angle-resolved photoemission spectroscopy (ARPES).
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000326089400004 Publication Date 2013-10-22
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 3 Open Access
Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl), the ESF-EuroGRAPHENE project CON-GRAN, and by the Serbian Ministry of Education and Science, within the Project No. TR 32008. ; Approved Most recent IF: 3.836; 2013 IF: 3.664
Call Number UA @ lucian @ c:irua:112224 Serial 1042
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Author (down) Krstajić, P.M.; Van Duppen, B.; Peeters, F.M.
Title Plasmons and their interaction with electrons in trilayer graphene Type A1 Journal article
Year 2013 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 88 Issue 19 Pages 195423
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The interaction between electrons and plasmons in trilayer graphene is investigated within the Overhauser approach resulting in the “plasmaron” quasiparticle. This interaction is cast into a field theoretical problem, and its effect on the energy spectrum is calculated using improved Wigner-Brillouin perturbation theory. The plasmaron spectrum is shifted with respect to the bare electron spectrum by ΔE(k)∼150−200meV for ABC stacked trilayer graphene and for ABA trilayer graphene by ΔE(k)∼30−150 meV[ ΔE(k) ∼1 −5meV] for the hyperbolic (linear) part of the spectrum. The shift in general increases with the electron concentration and electron momentum. The dispersion of plasmarons is more pronounced in ABC stacked than in ABA stacked trilayer graphene, because of the different energy band structure and their different plasmon dispersion.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000327239200003 Publication Date 2013-11-21
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1098-0121 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 10 Open Access
Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl), by the ESF-EuroGRAPHENE project CON-GRAN, and by the Serbian Ministry of Education and Science, within the Project No. TR 32008. ; Approved Most recent IF: 3.836; 2013 IF: 3.664
Call Number CMT @ cmt @ c:irua:112702 Serial 4489
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Author (down) Krstajić, P.M.; Peeters, F.M.; Ivanov, V.A.; Fleurov, V.; Kikoin, K.
Title Double-exchange mechanisms for Mn-doped III-V ferromagnetic semiconductors Type A1 Journal article
Year 2004 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 70 Issue Pages 195215,1-16
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000225477800077 Publication Date 2004-11-23
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 115 Open Access
Notes Approved Most recent IF: 3.836; 2004 IF: 3.075
Call Number UA @ lucian @ c:irua:69395 Serial 754
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Author (down) Krstajić, P.M.; Peeters, F.M.; Helm, M.
Title Landau levels and magnetopolaron effect in dilute GaAs:N Type A1 Journal article
Year 2010 Publication Solid state communications Abbreviated Journal Solid State Commun
Volume 150 Issue 33/34 Pages 1575-1579
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The magnetic-field dependence of the energy spectrum of GaAs doped with nitrogen impurities is investigated. Our theoretical model is based on the phenomenological band anticrossing model (BAC) which we extended in order to include the magnetic field and electronphonon interaction. Due to the highly localized nature of the nitrogen state, we find that the energy levels are very different from those of pure GaAs. The polaron correction results in a lower cyclotron resonance energy as compared to pure GaAs. The magneto-absorption spectrum exhibits series of asymmetric peaks close to the cyclotron energy ħωc.
Address
Corporate Author Thesis
Publisher Place of Publication New York, N.Y. Editor
Language Wos 000280949900019 Publication Date 2010-06-05
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0038-1098; ISBN Additional Links UA library record; WoS full record
Impact Factor 1.554 Times cited Open Access
Notes ; This work is supported by the Flemish Science Foundation (FWO-VI), and the Interuniversity Attraction Poles Program (IAP)-Belgian State Science Policy. M.H. is grateful to O. Drachenko and H. Schneider for numerous discussions. ; Approved Most recent IF: 1.554; 2010 IF: 1.981
Call Number UA @ lucian @ c:irua:84580 Serial 1771
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Author (down) Krstajić, P.M.; Peeters, F.M.
Title Energy-momentum dispersion relation of plasmarons in graphene Type A1 Journal article
Year 2012 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 85 Issue 20 Pages 205454-205454,4
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The many-body correction to the band structure of a quasi-free-standing graphene layer is obtained within the Overhauser approach, where the electron-plasmon interaction is described as a field theoretical problem. We find that the Dirac-like spectrum is shifted by Delta E(k = 0), which is on the order of 50-150 meV, depending on the electron concentration n(e), and is in semiquantitative agreement with experimental data. The value of the Fermi velocity is renormalized by several percents and decreases with increasing electron concentration as found experimentally.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000304649900004 Publication Date 2012-06-05
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 11 Open Access
Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl), the ESF-EuroGRAPHENE project CON-GRAN, and the Serbian Ministry of Education and Science (project No. TR 32008). ; Approved Most recent IF: 3.836; 2012 IF: 3.767
Call Number UA @ lucian @ c:irua:98937 Serial 1043
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Author (down) Krstajić, P.M.; Peeters, F.M.
Title Remote electron plasmon polaron in graphene Type A1 Journal article
Year 2012 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 85 Issue 8 Pages 085436-085436,5
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The Coulomb interaction and the correlation of a remote electron with a single layer of graphene is investigated in the presence of a magnetic field applied perpendicular to the graphene layer. The remote electron polarizes the electron gas in the graphene layer, which we describe in terms of excitations of virtual plasmons in graphene. The composite quasiparticle formed by electron plus polarization is called a plasmon polaron. The ground-state energy of this quasiparticle is calculated within perturbation theory for remote electrons in different environments.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000300831900012 Publication Date 2012-02-27
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 4 Open Access
Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl). ; Approved Most recent IF: 3.836; 2012 IF: 3.767
Call Number UA @ lucian @ c:irua:97202 Serial 2869
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Author (down) Krstajić, P.M.; Keller, M.; Peeters, F.M.
Title Spin-torque effects in metallic magnetic multilayers in the ballistic regime Type A1 Journal article
Year 2008 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 77 Issue 17 Pages 174428,1-7
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000256763800082 Publication Date 2008-05-22
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 2 Open Access
Notes Approved Most recent IF: 3.836; 2008 IF: 3.322
Call Number UA @ lucian @ c:irua:69635 Serial 3101
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Author (down) Krstajic, P.M.; Ivanov, V.A.; Peeters, F.M.; Fleurov, V.; Kikoin, K.
Title Ferromagnetism in Mn-doped GaAs : the kinematic exchange Type A1 Journal article
Year 2003 Publication Journal of superconductivity T2 – PASPS Conference 2002, JUL, 2002, WURZBURG, GERMANY Abbreviated Journal J Supercond
Volume 16 Issue 1 Pages 111-113
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We developed a microscopic model in order to describe the onset of ferromagnetism (FM) in GaAs:Mn. The proposed kinematic mechanism bears resemblances with the Zener exchange. The calculated Curie temperature for GaAs: Mn is in good agreement with available experimental data of the Curie temperature as a function of the manganese concentration.
Address
Corporate Author Thesis
Publisher Place of Publication New York, N.Y. Editor
Language Wos 000182060400027 Publication Date 2003-06-06
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0896-1107; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 2 Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:103314 Serial 1183
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Author (down) Krstajic, P.M.; Ivanov, V.A.; Peeters, F.M.; Fleurov, V.; Kikoin, K.
Title On the nature of ferromagnetism in diluted magnetic semiconductors : GaAs:Mn Type A1 Journal article
Year 2003 Publication Europhysics letters Abbreviated Journal Epl-Europhys Lett
Volume 61 Issue 2 Pages 235-241
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract An energy level diagram is constructed on the basis of a microscopic Hamiltonian proposed for a description of interacting manganese impurities in diluted magnetic semiconductors (DMS). It is shown that ferromagnetism in p-type III-V DMS is governed by the strong hybridization of Mn2+-electrons with the mobile holes and localized states near the top of the valence band. The Curie temperature estimated from the proposed kinematic exchange agrees with the experiments on GaAs:Mn. The model is also applicable to the GaP:Mn system.
Address
Corporate Author Thesis
Publisher Place of Publication Paris Editor
Language Wos 000180283200015 Publication Date 2003-12-23
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 38 Open Access
Notes Approved Most recent IF: 1.957; 2003 IF: 2.075
Call Number UA @ lucian @ c:irua:103318 Serial 2443
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Author (down) Krstajić, P.; Peeters, F.M.
Title Influence of strain on the tunneling magnetoresistance in diluted magnetic semiconductor trilayer and double barrier structures Type A1 Journal article
Year 2007 Publication Solid state communications Abbreviated Journal Solid State Commun
Volume 141 Issue 6 Pages 320-324
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication New York, N.Y. Editor
Language Wos 000244006000004 Publication Date 2006-11-30
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0038-1098; ISBN Additional Links UA library record; WoS full record
Impact Factor 1.554 Times cited Open Access
Notes Approved Most recent IF: 1.554; 2007 IF: 1.535
Call Number UA @ lucian @ c:irua:63747 Serial 1637
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Author (down) Krstajić, P.; Peeters, F.M.
Title Magnetotunneling of holes through single and double barriers using a multiband treatment Type A1 Journal article
Year 2005 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 71 Issue Pages 115321,1-10
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000228065500096 Publication Date 2005-03-24
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 5 Open Access
Notes Approved Most recent IF: 3.836; 2005 IF: 3.185
Call Number UA @ lucian @ c:irua:69404 Serial 1937
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Author (down) Krstajic, P.; Peeters, F.M.
Title Spin-dependent tunneling in diluted magnetic semiconductor trilayer structures Type A1 Journal article
Year 2005 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 72 Issue 12 Pages 125350-125356
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Tunneling of holes through a trilayer structure made of two diluted magnetic semiconductors, (Ga,Mn)As, separated by a thin layer of nonmagnetic AlAs is investigated. The problem is treated within the 6x6 Luttinger-Kohn model for valence bands with the split-off band included. The influence of the spin-orbit coupling is pronounced as the spin-splitting Delta(ex) is comparable with the split-off Delta(SO) splitting. It is assumed that direct tunneling is the dominant mechanism due to the high quality of the tunnel junctions. Our theoretical results predict the correct order of magnitude for the tunneling magnetoresistance ratio, but various other effects, such as scattering on impurities and defects, should be included in order to realize a quantitative agreement with experiment.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000232229400116 Publication Date 2005-09-30
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 8 Open Access
Notes Approved Most recent IF: 3.836; 2005 IF: 3.185
Call Number UA @ lucian @ c:irua:104068 Serial 3086
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Author (down) Kosimov, D.P.; Dzhurakhalov, A.A.; Peeters, F.M.
Title Carbon clusters: from ring structures to nanographene Type A1 Journal article
Year 2010 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 81 Issue 19 Pages 195414,1-195414,12
Keywords A1 Journal article; Condensed Matter Theory (CMT); Integrated Molecular Plant Physiology Research (IMPRES); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract The lowest-energy configurations of Cn(n≤55) clusters are obtained using the energy-minimization technique with the conjugate gradient method where a modified Brenner potential is invoked to describe the carbon and hydrocarbon interaction. We found that the ground-state configuration consists of a single ring for small number of C atoms and multiring structures are found with increasing n, which can be in planar, bowl-like or caplike form. Contrary to previous predictions, the binding energy Eb does not show even-odd oscillations and only small jumps are found in the Eb(n) curve as a consequence of specific types of edges or equivalently the number of secondary atoms. We found that hydrogenation of the edge atoms may change the ground-state configuration of the nanocluster. In both cases we determined the magic clusters. Special attention is paid to trigonal and hexagonal shaped carbon clusters and to clusters having a graphenelike configuration. Trigonal clusters are never the ground state while hexagonal-shaped clusters are only the ground state when they have zigzag edges.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000278142000103 Publication Date 2010-05-10
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 55 Open Access
Notes ; This work was supported by the Belgian Science Policy (IAP) and the Flemish Science Foundation (FWO-V1). ; Approved Most recent IF: 3.836; 2010 IF: 3.774
Call Number UA @ lucian @ c:irua:83385 Serial 278
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Author (down) Kosimov, D.P.; Dzhurakhalov, A.A.; Peeters, F.M.
Title Theoretical study of the stable states of small carbon clusters Cn (n=210) Type A1 Journal article
Year 2008 Publication Physical review : B : solid state Abbreviated Journal Phys Rev B
Volume 78 Issue 23 Pages 235433,1-235433,8
Keywords A1 Journal article; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Both even- and odd-numbered neutral carbon clusters Cn (n=210) are systematically studied using the energy minimization method and the modified Brenner potential for the carbon-carbon interactions. Many stable configurations were found, and several new isomers are predicted. For the lowest energy stable configurations we obtained their binding energies and bond lengths. We found that for n5 the linear isomer is the most stable one while for n>5 the monocyclic isomer becomes the most stable. The latter was found to be regular for all studied clusters. The dependence of the binding energy for linear and cyclic clusters versus the cluster size n (n=210) is found to be in good agreement with several previous calculations, in particular with ab initio calculations as well as with experimental data for n=25.
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000262245400119 Publication Date 2008-12-24
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 35 Open Access
Notes Approved Most recent IF: 3.836; 2008 IF: 3.322
Call Number UA @ lucian @ c:irua:76006 Serial 3613
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Author (down) Kong, X.; Li, L.; Peeters, F.M.
Title Topological Dirac semimetal phase in <tex> $GexSny alloys Type A1 Journal article
Year 2018 Publication Applied physics letters Abbreviated Journal Appl Phys Lett
Volume 112 Issue 25 Pages 251601
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Recently, two stable allotropes (germancite and stancite) for the group IV elements (Ge and Sn) with a staggered layered dumbell structure were proposed to be three-dimensional (3D) topological Dirac semimetals [Phys. Rev. B 93, 241117 (2016)]. A pair of Dirac points is on the rotation axis away from the time-reversal invariant momentum, and the stability of the 3D bulk Dirac points is protected by the C-3 rotation symmetry. Here, we use the first principles calculations to investigate GexSny alloys which share the same rhombohedral crystal structure with the space group of D-3d(6). Six GexSny alloys are predicted to be energetically and dynamically stable, where (x, y) = (8, 6) and (6, 8) and the alpha and beta phases of (10, 4) and (4, 10). Our results demonstrate that all the six GexSny alloys are topological Dirac semimetals. The different nontrivial surface states and surface Fermi arcs are identified. Our work will substantially enrich the family of 3D Dirac semimetals which are within the reach of experimental realization. Published by AIP Publishing.
Address
Corporate Author Thesis
Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
Language Wos 000435987400013 Publication Date 2018-06-18
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0003-6951; 1077-3118 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.411 Times cited 8 Open Access
Notes ; This work was supported by the Collaborative Innovation Center of Quantum Matter, the Fonds voor Wetenschappelijk Onderzoek (FWO-VI), and the FLAG-ERA Project TRANS 2D TMD. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center), funded by the Research Foundation – Flanders (FWO) and the Flemish Government – department EWI, and the National Supercomputing Center in Tianjin, funded by the Collaborative Innovation Center of Quantum Matter. ; Approved Most recent IF: 3.411
Call Number UA @ lucian @ c:irua:151970UA @ admin @ c:irua:151970 Serial 5045
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Author (down) Kong, X.; Li, L.; Peeters, F.M.
Title Graphene-based heterostructures with moire superlattice that preserve the Dirac cone: a first-principles study Type A1 Journal article
Year 2019 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat
Volume 31 Issue 25 Pages 255302
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract In van der Waals heterostructures consisting of graphene and a substrate, lattice mismatch often leads to a moire pattern with a huge supercell, preventing its treatment within first- principles calculations. Previous theoretical works considered mostly simple stacking models such as AB, AA with straining the lattice of graphene to match that of the substrate. Here, we propose a moire superlattice build from graphene and porous graphene or graphyne like monolayers, having a lower interlayer binding energy, needing little strain in order to match the lattices. In contrast to the results from the simple stacking models, the present ab initio calculations for the moire superlattices show different properties in lattice structure, energy, and band structures. For example, the Dirac cone at the K point is preserved and a linear energy dispersion near the Fermi level is obtained.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000464184300001 Publication Date 2019-03-25
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0953-8984 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.649 Times cited 5 Open Access
Notes ; This work is supported by the Collaborative Innovation Center of Quantum Matter, 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. ; Approved Most recent IF: 2.649
Call Number UA @ admin @ c:irua:159314 Serial 5215
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Author (down) Kong, X.; Li, L.; Liang, L.; Peeters, F.M.; Liu, X.-J.
Title The magnetic, electronic, and light-induced topological properties in two-dimensional hexagonal FeX₂ (X=Cl, Br, I) monolayers Type A1 Journal article
Year 2020 Publication Applied Physics Letters Abbreviated Journal Appl Phys Lett
Volume 116 Issue 19 Pages 192404-192405
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Using Floquet-Bloch theory, we propose to realize chiral topological phases in two-dimensional (2D) hexagonal FeX2 (X=Cl, Br, I) monolayers under irradiation of circularly polarized light. Such 2D FeX2 monolayers are predicted to be dynamically stable and exhibit both ferromagnetic and semiconducting properties. To capture the full topological physics of the magnetic semiconductor under periodic driving, we adopt ab initio Wannier-based tight-binding methods for the Floquet-Bloch bands, with the light-induced bandgap closings and openings being obtained as the light field strength increases. The calculations of slabs with open boundaries show the existence of chiral edge states. Interestingly, the topological transitions with branches of chiral edge states changing from zero to one and from one to two by tuning the light amplitude are obtained, showing that the topological Floquet phase of high Chern number can be induced in the present Floquet-Bloch systems. Published under license by AIP Publishing.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000533500900001 Publication Date 2020-05-11
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 4 Times cited 18 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) (Nos. 11574008, 11761161003, 11825401, and 11921005), the Strategic Priority Research Program of Chinese Academy of Science (Grant No. XDB28000000), 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. This research also used resources of the Compute and Data Environment for Science (CADES) at the Oak Ridge National Laboratory, which was supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC05-00OR22725. X.K. and L.L. also acknowledge the work conducted at the Center for Nanophase Materials Sciences, which is a U.S. Department of Energy Office of Science User Facility. ; Approved Most recent IF: 4; 2020 IF: 3.411
Call Number UA @ admin @ c:irua:169496 Serial 6623
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Author (down) 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 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 (down) Kong, X.; Li, L.; Leenaerts, O.; Liu, X.-J.; Peeters, F.M.
Title New group-V elemental bilayers : a tunable structure model with four-, six-, and eight-atom rings Type A1 Journal article
Year 2017 Publication Physical review B Abbreviated Journal Phys Rev B
Volume 96 Issue 3 Pages 035123
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Two-dimensional group-V elemental materials have attracted widespread attention due to their nonzero band gap while displaying high electron mobility. Using first-principles calculations, we propose a series of new elemental bilayers with group-V elements (Bi, Sb, As). Our study reveals the dynamical stability of four-, six-, and eight-atom ring structures, demonstrating their possible coexistence in such bilayer systems. The proposed structures for Sb and As are large-gap semiconductors that are potentially interesting for applications in future nanodevices. The Bi structures have nontrivial topological properties with a direct nontrivial band gap. The nontrivial gap is shown to arise from a band inversion at the Brillouin zone center due to the strong intrinsic spin-orbit coupling in Bi atoms. Moreover, we demonstrate the possibility of tuning the properties of these materials by enhancing the ratio of six-atom rings to four-and eight-atom rings, which results in wider nontrivial band gaps and lower formation energies.
Address
Corporate Author Thesis
Publisher American Physical Society Place of Publication New York, N.Y Editor
Language Wos 000405363900005 Publication Date 2017-07-14
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 14 Open Access
Notes ; This work is supported by Ministry of Science and Technology of China (MOST) (Grant No. 2016YFA0301604), National Natural Science Foundation of China (NSFC) ( No. 11574008), the Thousand-Young-Talent Program of China, and the Fonds voor Wetenschappelijk Onderzoek (FWO-Vl). The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center), funded by the Research Foundation – Flanders (FWO) and the Flemish Government – department EWI, and the National Supercomputing Center in Tianjin, funded by the Collaborative Innovation Center of Quantum Matter. ; Approved Most recent IF: 3.836
Call Number UA @ lucian @ c:irua:144834 Serial 4721
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Author (down) Kong, M.; Vagov, A.; Partoens, B.; Peeters, F.M.; Ferreira, W.P.; Farias, G.A.
Title Nonlinear screening in large two-dimensional Coulomb clusters Type A1 Journal article
Year 2004 Publication Physical review : E : statistical physics, plasmas, fluids, and related interdisciplinary topics Abbreviated Journal Phys Rev E
Volume 70 Issue Pages 051807,1-6
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000225970500071 Publication Date 2004-11-22
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 4 Open Access
Notes Approved Most recent IF: 2.366; 2004 IF: NA
Call Number UA @ lucian @ c:irua:62444 Serial 2358
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Author (down) Kong, M.; Partoens, B.; Peeters, F.M.
Title Structural, dynamical and melting properties of two-dimensional clusters of complex plasmas Type A1 Journal article
Year 2003 Publication New journal of physics Abbreviated Journal New J Phys
Volume 5 Issue Pages 23,1-17
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Bristol Editor
Language Wos 000181548000008 Publication Date 2003-03-15
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1367-2630; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.786 Times cited 67 Open Access
Notes Approved Most recent IF: 3.786; 2003 IF: 2.480
Call Number UA @ lucian @ c:irua:62452 Serial 3232
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Author (down) Kong, M.; Partoens, B.; Peeters, F.M.
Title Topological defects and nonhomogeneous melting of large two-dimensional Coulomb clusters Type A1 Journal article
Year 2003 Publication Physical review : E : statistical physics, plasmas, fluids, and related interdisciplinary topics Abbreviated Journal Phys Rev E
Volume 67 Issue 2 Pages 021608,1-8
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000181520200051 Publication Date 2003-02-28
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1063-651X;1095-3787; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.366 Times cited 45 Open Access
Notes Approved Most recent IF: 2.366; 2003 IF: 2.202
Call Number UA @ lucian @ c:irua:62441 Serial 3677
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Author (down) Kong, M.; Partoens, B.; Peeters, F.M.
Title Transition between ground state and metastable states in classical two-dimensional atoms Type A1 Journal article
Year 2002 Publication Physical review : E : statistical physics, plasmas, fluids, and related interdisciplinary topics Abbreviated Journal Phys Rev E
Volume 65 Issue 4 Pages 046602,1-13
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000175146600036 Publication Date 2002-07-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1063-651X;1095-3787; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.366 Times cited 51 Open Access
Notes Approved Most recent IF: 2.366; 2002 IF: 2.397
Call Number UA @ lucian @ c:irua:62440 Serial 3697
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Author (down) Kong, M.; Partoens, B.; Matulis, A.; Peeters, F.M.
Title Structure and spectrum of two-dimensional clusters confined in a hard wall potential Type A1 Journal article
Year 2004 Publication Physical review : E : statistical physics, plasmas, fluids, and related interdisciplinary topics Abbreviated Journal Phys Rev E
Volume 69 Issue Pages 036412,1-10
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000220729400077 Publication Date 2004-04-01
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 42 Open Access
Notes Approved Most recent IF: 2.366; 2004 IF: NA
Call Number UA @ lucian @ c:irua:62442 Serial 3298
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Author (down) Kong, M.; Ferreira, W.P.; Partoens, B.; Peeters, F.M.
Title Magnetic field dependence of the normal mode spectrum of a planar complex plasma cluster Type A1 Journal article
Year 2004 Publication IEEE transactions on plasma science Abbreviated Journal Ieee T Plasma Sci
Volume 32 Issue 2,2 Pages 569-572
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication New York, N.Y. Editor
Language Wos 000222278400007 Publication Date 2004-06-30
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0093-3813; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.052 Times cited 4 Open Access
Notes Approved Most recent IF: 1.052; 2004 IF: 1.042
Call Number UA @ lucian @ c:irua:62453 Serial 1871
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Author (down) Komendová, L.; Shanenko, A.A.; Milošević, M.V.; Peeters, F.M.
Title The healing lengths in two-band superconductors in extended Ginzburg-Landau theory Type A1 Journal article
Year 2012 Publication Physica: C : superconductivity Abbreviated Journal Physica C
Volume 479 Issue Pages 126-129
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We study the vortex profiles in two-gap superconductors using the extended Ginzburg-Landau theory. The results shed more light on the disparity between the effective length scales in two bands. We compare the behavior expected from the standard Ginzburg-Landau theory with this new approach, and find good qualitative agreement in the case of LiFeAs. (C) 2011 Elsevier B.V. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000308580600029 Publication Date 2012-01-04
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0921-4534; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.404 Times cited 1 Open Access
Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl), the Belgian Science Policy (IAP), and the ESF-INSTANS network. ; Approved Most recent IF: 1.404; 2012 IF: 0.718
Call Number UA @ lucian @ c:irua:101871 Serial 3585
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Author (down) Komendová, L.; Milošević, M.V.; Shanenko, A.A.; Peeters, F.M.
Title Different length scales for order parameters in two-gap superconductors : extended Ginzburg-Landau theory Type A1 Journal article
Year 2011 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 84 Issue 6 Pages 064522-064522,5
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Using the Ginzburg-Landau theory extended to the next-to-leading order, we determine numerically the healing lengths of the two order parameters at the two-gap superconductor/normal metal interface. We demonstrate on several examples that those can be different even in the strict domain of applicability of the Ginzburg-Landau theory. This justifies the use of this theory to describe relevant physics of two-gap superconductors, distinguishing them from their single-gap counterparts. The calculational degree of complexity increases only slightly with respect to the conventional Ginzburg-Landau expansion, thus the extended Ginzburg-Landau model remains numerically far less demanding compared to the full microscopic approaches.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000294226000013 Publication Date 2011-08-25
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 56 Open Access
Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl), the Belgian Science Policy (IAP), and the ESF-INSTANS network. ; Approved Most recent IF: 3.836; 2011 IF: 3.691
Call Number UA @ lucian @ c:irua:92414 Serial 695
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