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Author (up) Mogg, L.; Hao, G.-P.; Zhang, S.; Bacaksiz, C.; Zou, Y.; Haigh, S.J.; Peeters, F.M.; Geim, A.K.; Lozada-Hidalgo, M.
Title Atomically thin micas as proton-conducting membranes Type A1 Journal article
Year 2019 Publication Nature nanotechnology Abbreviated Journal Nat Nanotechnol
Volume 14 Issue 10 Pages 962-+
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract Monolayers of graphene and hexagonal boron nitride (hBN) are highly permeable to thermal protons1,2. For thicker two-dimensional (2D) materials, proton conductivity diminishes exponentially, so that, for example, monolayer MoS2 that is just three atoms thick is completely impermeable to protons1. This seemed to suggest that only one-atom-thick crystals could be used as proton-conducting membranes. Here, we show that few-layer micas that are rather thick on the atomic scale become excellent proton conductors if native cations are ion-exchanged for protons. Their areal conductivity exceeds that of graphene and hBN by one to two orders of magnitude. Importantly, ion-exchanged 2D micas exhibit this high conductivity inside the infamous gap for proton-conducting materials3, which extends from ∼100 °C to 500 °C. Areal conductivity of proton-exchanged monolayer micas can reach above 100 S cm−2 at 500 °C, well above the current requirements for the industry roadmap4. We attribute the fast proton permeation to ~5-Å-wide tubular channels that perforate micas’ crystal structure, which, after ion exchange, contain only hydroxyl groups inside. Our work indicates that there could be other 2D crystals5 with similar nanometre-scale channels, which could help close the materials gap in proton-conducting applications.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000488977100016 Publication Date 2019-09-02
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1748-3387; 1748-3395 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 38.986 Times cited 44 Open Access
Notes ; The work was supported by the Lloyd's Register Foundation, the Engineering and Physical Sciences Research Council (EPSRC)-EP/N010345/1, EP/M010619/1 and EP/ P009050/1, the European Research Council, the Graphene Flagship and the Royal Society. M.L.-H. acknowledges a Leverhulme Early Career Fellowship, G.-P.H. acknowledges a Marie Curie International Incoming Fellowship, and L.M. acknowledges the EPSRC NOWNano programme for funding. Y.Z. acknowledges the assistance of Eric Prestat in TEM specimen preparation. Computational resources were provided by the TUBITAK ULAKBIM High Performance and Grid Computing Center (TR-Grid e-Infrastructure). ; Approved Most recent IF: 38.986
Call Number UA @ admin @ c:irua:163589 Serial 5407
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Author (up) Moldovan, D.; Masir, M.R.; Covaci, L.; Peeters, F.M.
Title Resonant valley filtering of massive Dirac electrons Type A1 Journal article
Year 2012 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 86 Issue 11 Pages 115431
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Electrons in graphene, in addition to their spin, have two pseudospin degrees of freedom: sublattice and valley pseudospin. Valleytronics uses the valley degree of freedom as a carrier of information similarly to the way spintronics uses electron spin. We show how a double-barrier structure consisting of electric and vector potentials can be used to filter massive Dirac electrons based on their valley index. We study the resonant transmission through a finite number of barriers and we obtain the energy spectrum of a superlattice consisting of electric and vector potentials. When a mass term is included, the energy bands and energy gaps at the K and K′ points are different and they can be tuned by changing the potential.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000309173300004 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 55 Open Access
Notes This work was supported by the European Science Foundation (ESF) under the EUROCORES Program Euro- GRAPHENE within the project CONGRAN, and the Flemish Science Foundation (FWO-Vl). Approved Most recent IF: 3.836; 2012 IF: 3.767
Call Number UA @ lucian @ c:irua:101835 Serial 2896
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Author (up) Moldovan, D.; Masir, M.R.; Peeters, F.M.
Title Electronic states in a graphene flake strained by a Gaussian bump Type A1 Journal article
Year 2013 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 88 Issue 3 Pages 035446-35447
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The effect of strain in graphene is usually modeled by a pseudomagnetic vector potential which is, however, derived in the limit of small strain. In realistic cases deviations are expected in view of graphene's very high strain tolerance, which can be up to 25%. Here we investigate the pseudomagnetic field generated by a Gaussian bump and we show that it exhibits significant differences with numerical tight-binding results. Furthermore, we calculate the electronic states in the strained region for a hexagon shaped flake with armchair edges. We find that the sixfold symmetry of the wave functions inside the Gaussian bump is directly related to the different effects of strain along the fundamental directions of graphene: zigzag and armchair. Low energy electrons are strongly confined in the armchair directions and are localized on the carbon atoms of a single sublattice.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000322587500003 Publication Date 2013-07-30
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 50 Open Access
Notes ; This work was supported by the European Science Foundation (ESF) under the EUROCORES Program Euro-GRAPHENE within the project CONGRAN, the Flemish Science Foundation (FWO-Vl), and the Methusalem Funding of the Flemish Government. ; Approved Most recent IF: 3.836; 2013 IF: 3.664
Call Number UA @ lucian @ c:irua:109800 Serial 1007
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Author (up) Moldovan, D.; Masir, M.R.; Peeters, F.M.
Title Magnetic field dependence of the atomic collapse state in graphene Type A1 Journal article
Year 2018 Publication 2D materials Abbreviated Journal 2D Mater
Volume 5 Issue 1 Pages 015017
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract <script type='text/javascript'>document.write(unpmarked('Quantum electrodynamics predicts that heavy atoms (Z \u003E Z(c) approximate to 170) will undergo the process of atomic collapse where electrons sink into the positron continuum and a new family of so-called collapsing states emerges. The relativistic electrons in graphene exhibit the same physics but at a much lower critical charge (Z(c) approximate to 1) which has made it possible to confirm this phenomenon experimentally. However, there exist conflicting predictions on the effect of a magnetic field on atomic collapse. These theoretical predictions are based on the continuum Dirac-Weyl equation, which does not have an exact analytical solution for the interplay of a supercritical Coulomb potential and the magnetic field. Approximative solutions have been proposed, but because the two effects compete on similar energy scales, the theoretical treatment varies depending on the regime which is being considered. These limitations are overcome here by starting from a tight-binding approach and computing exact numerical results. By avoiding special limit cases, we found a smooth evolution between the different regimes. We predict that the atomic collapse effect persists even after the magnetic field is activated and that the critical charge remains unchanged. We show that the atomic collapse regime is characterized: (1) by a series of Landau level anticrossings and (2) by the absence of root B scaling of the Landau levels with regard to magnetic field strength.'));
Address
Corporate Author Thesis
Publisher IOP Publishing Place of Publication Bristol Editor
Language Wos 000415015000001 Publication Date 2017-10-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2053-1583 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 6.937 Times cited 13 Open Access
Notes ; We thank Eva Andrei, Jinhai Mao and Yuhang Jiang for insightful discussions. This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem Funding of the Flemish Government. ; Approved Most recent IF: 6.937
Call Number UA @ lucian @ c:irua:147361UA @ admin @ c:irua:147361 Serial 4884
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Author (up) Moldovan, D.; Peeters, F.M.
Title Strain engineering of the electronic properties of bilayer graphene quantum dots: Strain engineering of the electronic properties of bilayer graphene quantum dots Type A1 Journal article
Year 2015 Publication Physica status solidi: rapid research letters Abbreviated Journal Phys Status Solidi-R
Volume 10 Issue 10 Pages 39-45
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We study the effect of mechanical deformations on the elec- tronic properties of hexagonal flakes of bilayer graphene. The behavior of electrons induced by triaxial strain can be de- scribed by an effective pseudo-magnetic field which is homo- geneous in the center of the flake. We find that in-plane strain, applied to both layers equally, can break the layer symmetry leading to different behavior in the top and bottom layers of graphene. At low energy, just one of the layers feels

the pseudo-magnetic field: the zero-energy pseudo-Landau level is missing in the second layer, thus creating a gap be- tween the lowest non-zero levels. While the layer asymmetry is most significant at zero energy, interaction with the edges of the flake extends the effect to higher pseudo-Landau lev- els. The behavior of the top and bottom layers may be re- versed by rotating the triaxial strain by 60°.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000368814500005 Publication Date 2015-08-18
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1862-6254; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.032 Times cited 9 Open Access
Notes This work was supported by the European Science Foundation (ESF) under the EUROCORES Program EuroGRAPHENE within the project CONGRAN, the Flemish Science Foundation (FWO-Vl) and the Methusalem Funding of the Flemish Government. Approved Most recent IF: 3.032; 2015 IF: 2.142
Call Number c:irua:129592 Serial 3970
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Author (up) Moldovan, D.; Peeters, F.M.
Title Atomic Collapse in Graphene Type P1 Proceeding
Year 2016 Publication Nanomaterials For Security Abbreviated Journal
Volume Issue Pages 3-17
Keywords P1 Proceeding; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract When the charge Z of an atom exceeds the critical value of 170, it will undergo a process called atomic collapse which triggers the spontaneous creation of electron-positron pairs. The high charge requirements have prevented the observation of this phenomenon with real atomic nuclei. However, thanks to the relativistic nature of the carriers in graphene, the same physics is accessible at a much lower scale. The atomic collapse analogue in graphene is realized using artificial nuclei which can be created via the deposition of impurities on the surface of graphene or using charged vacancies. These supercritically charged artificial nuclei trap electrons in a sequence of quasi-bound states which can be observed experimentally as resonances in the local density of states.
Address
Corporate Author Thesis
Publisher Springer Place of Publication Dordrecht Editor
Language Wos 000386506200001 Publication Date 2016-07-20
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 978-94-017-7593-9; 978-94-017-7591-5 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 3 Open Access
Notes ; ; Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:138237 Serial 4348
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Author (up) Molnár, B.; Peeters, F.M.; Vasilopoulos, P.
Title Spin-dependent magnetotransport through a ring due to spin-orbit interaction Type A1 Journal article
Year 2004 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 69 Issue Pages 155335,1-11
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000221426800104 Publication Date 2004-04-30
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 199 Open Access
Notes Approved Most recent IF: 3.836; 2004 IF: 3.075
Call Number UA @ lucian @ c:irua:69385 Serial 3083
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Author (up) Molnár, B.; Vasilopoulos, P.; Peeters, F.M.
Title Magnetoconductance through a chain of rings with or without periodically modulated spin-orbit interaction strength and magnetic field Type A1 Journal article
Year 2005 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 72 Issue Pages 075330,1-7
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000231564500117 Publication Date 2005-08-12
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 52 Open Access
Notes Approved Most recent IF: 3.836; 2005 IF: 3.185
Call Number UA @ lucian @ c:irua:69414 Serial 1915
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Author (up) Molnar, B.; Vasilopoulos, P.; Peeters, F.M.
Title Spin-dependent transmission through a chain of rings : influence of a periodically modulated spin-orbit interaction strength or ring radius Type A1 Journal article
Year 2004 Publication Applied physics letters Abbreviated Journal Appl Phys Lett
Volume 85 Issue 4 Pages 612-614
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We study ballistic electron transport through a finite chain of quantum circular rings in the presence of spin-orbit interaction of strength alpha. For a single ring, the transmission and reflection coefficients are obtained analytically and from them the conductance for a chain of rings as a function of alpha and of the wave vector k of the incident electron. We show that due to destructive spin interferences, the chain can be totally opaque for certain ranges of k, the width of which depends on the value of alpha. A periodic modulation of the strength alpha or of the ring radius widens the gaps considerably and produces a nearly binary conductance output. (C) 2004 American Institute of Physics.
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Corporate Author Thesis
Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
Language Wos 000222855400034 Publication Date 2004-07-23
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 26 Open Access
Notes Approved Most recent IF: 3.411; 2004 IF: 4.308
Call Number UA @ lucian @ c:irua:94799 Serial 3085
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Author (up) Molnar, B.; Vasilopoulos, P.; Peeters, F.M.
Title Square-wave conductance through a chain of rings due to spin-orbit interaction Type P1 Proceeding
Year 2005 Publication AIP conference proceedings Abbreviated Journal
Volume 772 Issue Pages 1335-1336
Keywords P1 Proceeding; Condensed Matter Theory (CMT)
Abstract We study ballistic electron transport through a finite chain of quantum circular rings in the presence of spin-orbit interaction (SOI) of strength alpha. The transmission and reflection coefficients for a single ring, obtained analytical lylead to the conductance for a chain of rings as a function of alpha and of the wave vector k of the incident electron. Due to destructive spin interferences the chain can be totaly opaque for certain ranges of k the width of which depends on the value of alpha. A periodic modulation of a widens up the gaps considerably and produces a nearly binary conductance output.
Address
Corporate Author Thesis
Publisher Place of Publication New York Editor
Language Wos Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0094-243x ISBN Additional Links UA library record; WoS full record;
Impact Factor Times cited Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:94771 Serial 3113
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Author (up) Monarkha, Y.P.; Peeters, F.M.
Title Nonlinear-cold-quantum magnetotransport in a nondegenerate two-dimensional electron gas Type A1 Journal article
Year 1996 Publication Europhysics letters Abbreviated Journal Epl-Europhys Lett
Volume 34 Issue Pages 611-616
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Paris Editor
Language Wos A1996UT81900010 Publication Date 2003-12-18
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 2.095 Times cited 4 Open Access
Notes Approved COMPUTER SCIENCE, INTERDISCIPLINARY 11/104 Q1 # PHYSICS, MATHEMATICAL 1/53 Q1 #
Call Number UA @ lucian @ c:irua:15796 Serial 2351
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Author (up) Monarkha, Y.P.; Peeters, F.M.; Sokolov, S.S.
Title Edge excitations of a 2D electron solid in a magnetic field Type A1 Journal article
Year 1997 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat
Volume 9 Issue Pages 1537-1545
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos A1997WK00500016 Publication Date 0000-00-00
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 1 Open Access
Notes Approved Most recent IF: 2.649; 1997 IF: 1.479
Call Number UA @ lucian @ c:irua:19294 Serial 787
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Author (up) Monarkha, Y.P.; Shirahama, K.; Kono, K.; Peeters, F.M.
Title Nonlinear quantum magnetotransport in a strongly correlated two-dimensional electron liquid Type A1 Journal article
Year 1998 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 58 Issue Pages 3762-3776
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000075616800057 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 4 Open Access
Notes Approved Most recent IF: 3.836; 1998 IF: NA
Call Number UA @ lucian @ c:irua:24163 Serial 2354
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Author (up) Moura, V.N.; Chaves, A.; Peeters, F.M.; Milošević, M.V.
Title McMillan-Ginzburg-Landau theory of singularities and discommensurations in charge density wave states of transition metal dichalcogenides Type A1 Journal article
Year 2024 Publication Physical review B Abbreviated Journal
Volume 109 Issue 9 Pages 094507-94511
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The McMillan-Ginzburg-Landau (MGL) model for charge density waves (CDW) is employed in a systematic phenomenological study of the different phases that have been probed in recent experiments involving transition metal dichalcogenides. We implemented an efficient imaginary time evolution method to solve the MGL equations, which enabled us to investigate the role of different coupling parameters on the CDW patterns and to perform calculations with different energy functionals that lead to several experimentally observed singularities in the CDW phase profiles. In particular, by choosing the appropriate energy functionals, we were able to obtain phases that go beyond the well-known periodic phase slips (discommensurations), exhibiting also topological defects (i.e., vortex-antivortex pairs), domain walls where the CDW order parameter is suppressed, and even CDW with broken rotational symmetry. Finally, we briefly discuss the effect of these different CDW phases on the profile and critical temperature of the competing superconducting state.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001199651500001 Publication Date 2024-03-11
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
Impact Factor 3.7 Times cited Open Access
Notes Approved Most recent IF: 3.7; 2024 IF: 3.836
Call Number UA @ admin @ c:irua:205491 Serial 9158
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Author (up) Mukhopadhyay, S.; Peeters, F.M.
Title The pinning effect in a parabolic quantum dot Type A1 Journal article
Year 2002 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat
Volume 14 Issue 34 Pages 8005-8010
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Using improved Wigner-Brillouin perturbation theory we study resonant electron-phonon interaction in a semiconductor quantum dot. We predict pinning of the excited energy levels to the ground state level plus one optical phonon as a function of the strength of the confinement potential. This effect should be observable through optical spectroscopic measurements.
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos 000178051800022 Publication Date 2002-09-17
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 4 Open Access
Notes Approved Most recent IF: 2.649; 2002 IF: 1.775
Call Number UA @ lucian @ c:irua:102824 Serial 3591
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Author (up) Munarin, F.F.; Ferreira, W.P.; Farias, G.A.; Peeters, F.M.
Title Ground state and normal-mode spectra of a two-dimensional system of dipole particles confined in a parabolic trap Type A1 Journal article
Year 2008 Publication Physical review : E : statistical, nonlinear, and soft matter physics Abbreviated Journal Phys Rev E
Volume 78 Issue 3 Part 1 Pages 031405-31412
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The ordered configurations of a monolayer of interacting magnetic dipoles confined in a circular parabolic potential are investigated as a function of the dipole moment of the particles. Despite the circular confinement, we find very asymmetric ordered structures like chains and Y-shaped configurations when a magnetic field is applied parallel to the plane of the particles. The normal-mode spectrum of the particles and its dependence on the magnetic field and the strength of the dipole moment of the particles are studied. The vibrational and rotational modes of the spectrum, which are associated with the stability of the system, are investigated in detail. The number of particles is varied and we found different ordering of the particles for different values of the dipole moment and the magnetic field. A ring structure with a large number of particles is observed for high values of the dipole moment of the particles.
Address
Corporate Author Thesis
Publisher American Institute of Physics Place of Publication Woodbury (NY) Editor
Language Wos 000259682700057 Publication Date 2008-09-18
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 5 Open Access
Notes Approved Most recent IF: 2.366; 2008 IF: 2.508
Call Number UA @ lucian @ c:irua:103084 Serial 1382
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Author (up) Munarin, F.F.; Ferreira, W.P.; Farias, G.A.; Peeters, F.M.
Title Molecular states of two vertically coupled systems of classical charged particles confined by a Coulomb potential Type A1 Journal article
Year 2007 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 76 Issue Pages 035336,1-8
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000248500800111 Publication Date 2007-07-26
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 Approved Most recent IF: 3.836; 2007 IF: 3.172
Call Number UA @ lucian @ c:irua:69657 Serial 2184
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Author (up) Munarin, F.F.; Nelissen, K.; Ferreira, W.P.; Farias, G.A.; Peeters, F.M.
Title Hysteresis and reentrant melting of a self-organized system of classical particles confined in a parabolic trap Type A1 Journal article
Year 2008 Publication Physical review : E : statistical physics, plasmas, fluids, and related interdisciplinary topics Abbreviated Journal Phys Rev E
Volume 77 Issue Pages 031608,1-8
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000254539700087 Publication Date 2008-04-23
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 11 Open Access
Notes Approved Most recent IF: 2.366; 2008 IF: 2.508
Call Number UA @ lucian @ c:irua:69640 Serial 1544
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Author (up) Muñoz, W.A.; Covaci, L.; Peeters, F.M.
Title Superconducting current and proximity effect in ABA and ABC multilayer graphene Josephson junctions Type A1 Journal article
Year 2013 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 88 Issue 88 Pages 214502
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Using a numerical tight-binding approach based on the Chebyshev–Bogoliubov–de Gennes method we describe Josephson junctions made of multilayer graphene contacted by top superconducting gates. Both Bernal (ABA) and rhombohedral (ABC) stacking are considered and we find that the type of stacking has a strong effect on the proximity effect and the supercurrent flow. For both cases the pair amplitude shows a polarization between dimer and nondimer atoms, being more pronounced for rhombohedral stacking. Even though the proximity effect in nondimer sites is enhanced when compared to single-layer graphene, we find that the supercurrent is suppressed. The spatial distribution of the supercurrent shows that for Bernal stacking the current flows only in the topmost layers while for rhombohedral stacking the current flows throughout the whole structure.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000328569900004 Publication Date 2013-12-02
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) and the Methusalem funding of the Flemish Government Approved Most recent IF: 3.836; 2013 IF: 3.664
Call Number CMT @ cmt @ c:irua:128896 Serial 3962
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Author (up) Muñoz, W.A.; Covaci, L.; Peeters, F.M.
Title Disordered graphene Josephson junctions 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 054506
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract A tight-binding approach based on the Chebyshev-Bogoliubov-de Gennes method is used to describe disordered single-layer graphene Josephson junctions. Scattering by vacancies, ripples, or charged impurities is included. We compute the Josephson current and investigate the nature of multiple Andreev reflections, which induce bound states appearing as peaks in the density of states for energies below the superconducting gap. In the presence of single-atom vacancies, we observe a strong suppression of the supercurrent, which is a consequence of strong intervalley scattering. Although lattice deformations should not induce intervalley scattering, we find that the supercurrent is still suppressed, which is due to the presence of pseudomagnetic barriers. For charged impurities, we consider two cases depending on whether the average doping is zero, i.e., existence of electron-hole puddles, or finite. In both cases, short-range impurities strongly affect the supercurrent, similar to the vacancies scenario.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000349436500001 Publication Date 2015-02-06
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 7 Open Access
Notes This work was supported by the Flemish Science Foundation (FWO-Vlaanderen) and the Methusalem funding of the Flemish Government. Approved Most recent IF: 3.836; 2015 IF: 3.736
Call Number c:irua:129192 Serial 3961
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Author (up) Muñoz, W.A.; Covaci, L.; Peeters, F.M.
Title Tight-binding description of intrinsic superconducting correlations in multilayer graphene Type A1 Journal article
Year 2013 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 87 Issue 13 Pages 134509-7
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Using highly efficient GPU-based simulations of the tight-binding Bogoliubov-de Gennes equations we solve self-consistently for the pair correlation in rhombohedral (ABC) and Bernal (ABA) multilayer graphene by considering a finite intrinsic s-wave pairing potential. We find that the two different stacking configurations have opposite bulk/surface behavior for the order parameter. Surface superconductivity is robust for ABC stacked multilayer graphene even at very low pairing potentials for which the bulk order parameter vanishes, in agreement with a recent analytical approach. In contrast, for Bernal stacked multilayer graphene, we find that the order parameter is always suppressed at the surface and that there exists a critical value for the pairing potential below which no superconducting order is achieved. We considered different doping scenarios and find that homogeneous doping strongly suppresses surface superconductivity while nonhomogeneous field-induced doping has a much weaker effect on the superconducting order parameter. For multilayer structures with hybrid stacking (ABC and ABA) we find that when the thickness of each region is small (few layers), high-temperature surface superconductivity survives throughout the bulk due to the proximity effect between ABC/ABA interfaces where the order parameter is enhanced. DOI: 10.1103/PhysRevB.87.134509
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000317390000006 Publication Date 2013-04-11
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 37 Open Access
Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem funding of the Flemish Government. ; Approved Most recent IF: 3.836; 2013 IF: 3.664
Call Number UA @ lucian @ c:irua:108469 Serial 3660
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Author (up) Muñoz, W.A.; Covaci, L.; Peeters, F.M.
Title Tight-binding study of bilayer graphene Josephson junctions Type A1 Journal article
Year 2012 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 86 Issue 18 Pages 184505-184507
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Using highly efficient simulations of the tight-binding Bogoliubov-de-Gennes model, we solved self-consistently for the pair correlation and the Josephson current in a superconducting-bilayer graphene-superconducting Josephson junction. Different doping levels for the non-superconducting link are considered in the short- and long-junction regimes. Self-consistent results for the pair correlation and superconducting current resemble those reported previously for single-layer graphene except at the Dirac point, where remarkable differences in the proximity effect are found, as well as a suppression of the superconducting current in the long-junction regime. Inversion symmetry is broken by considering a potential difference between the layers and we found that the supercurrent can be switched if the junction length is larger than the Fermi length.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000310840400005 Publication Date 2012-11-07
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 13 Open Access
Notes ; This work was supported by the Flemish Science Foundation (FWO-VI). ; Approved Most recent IF: 3.836; 2012 IF: 3.767
Call Number UA @ lucian @ c:irua:105149 Serial 3661
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Author (up) Nakhaee, M.; Ketabi, S.A.; Peeters, F.M.
Title Tight-binding model for borophene and borophane Type A1 Journal article
Year 2018 Publication Physical review B Abbreviated Journal Phys Rev B
Volume 97 Issue 12 Pages 125424
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Starting from the simplified linear combination of atomic orbitals method in combination with first-principles calculations, we construct a tight-binding (TB) model in the two-centre approximation for borophene and hydrogenated borophene (borophane). The Slater and Koster approach is applied to calculate the TB Hamiltonian of these systems. We obtain expressions for the Hamiltonian and overlap matrix elements between different orbitals for the different atoms and present the SK coefficients in a nonorthogonal basis set. An anisotropic Dirac cone is found in the band structure of borophane. We derive a Dirac low-energy Hamiltonian and compare the Fermi velocities with that of graphene.
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Corporate Author Thesis
Publisher American Physical Society Place of Publication New York, N.Y Editor
Language Wos 000427983700004 Publication Date 2018-03-21
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 45 Open Access
Notes ; Discussions with Dr. Vahid Derakhshan and M. A. M. Keshtan are gratefully acknowledged. This paper is supported by the Methusalem program of the Flemish government and the FLAT-ERA Project TRANS-2D-TMD. ; Approved Most recent IF: 3.836
Call Number UA @ lucian @ c:irua:150836UA @ admin @ c:irua:150836 Serial 4987
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Author (up) Nakhaee, M.; Ketabi, S.A.; Peeters, F.M.
Title Dirac nodal line in bilayer borophene : tight-binding model and low-energy effective Hamiltonian Type A1 Journal article
Year 2018 Publication Physical review B Abbreviated Journal Phys Rev B
Volume 98 Issue 11 Pages 115413
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Bilayer hexagonal borophene, which is bound together through pillars, is a novel topological semimetal. Using density functional theory, we investigate its electronic band structure and show that it is a Dirac material which exhibits a nodal line. A tight-binding model was constructed based on the Slater-Koster approach, which accurately models the electronic spectrum. We constructed an effective four-band model Hamiltonian to describe the spectrum near the nodal line. This Hamiltonian can be used as a new platform to study the new properties of nodal line semimetals. We found that the nodal line is created by edge states and is very robust against perturbations and impurities. Breaking symmetries can split the nodal line, but cannot open a gap.
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Corporate Author Thesis
Publisher American Physical Society Place of Publication New York, N.Y Editor
Language Wos 000443916200007 Publication Date 2018-09-06
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 19 Open Access
Notes ; This work was supported by the Methusalem program of the Flemish government and the graphene FLAG-ERA project TRANS-2D-TMD. ; Approved Most recent IF: 3.836
Call Number UA @ lucian @ c:irua:153649UA @ admin @ c:irua:153649 Serial 5090
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Author (up) Nakhaee, M.; Ketabi, S.A.; Peeters, F.M.
Title Tight-binding studio : a technical software package to find the parameters of tight-binding Hamiltonian Type A1 Journal article
Year 2020 Publication Computer Physics Communications Abbreviated Journal Comput Phys Commun
Volume 254 Issue Pages 107379-10
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We present the Tight-Binding Studio (TB Studio) software package that calculates the different parameters of a tight-binding Hamiltonian from a set of Bloch energy bands obtained from first principle theories such as density functional theory, Hartree-Fock calculations or semi-empirical band-structure theory. This will be helpful for scientists who are interested in studying electronic and optical properties of structures using Green's function theory within the tight-binding approximation. TB Studio is a cross-platform application written in C++ with a graphical user interface design that is user-friendly and easy to work with. This software is powered by Linear Algebra Package C interface library for solving the eigenvalue problems and the standard high performance OpenGL graphic library for real time plotting. TB Studio and its examples together with the tutorials are available for download from tight-binding.com. Program summary Program Title: Tight-Binding Studio Program Files doi:http://dx.doi.org/10.17632/j6x5mwzm2d.1 Licensing provisions: LGPL Programming language: C++ External routines: BLAS, LAPACK, LAPACKE, wxWidgets, OpenGL, MathGL Nature of problem: Obtaining Tight-Binding Hamiltonian from a set of Bloch energy bands obtained from first-principles calculations. Solution method: Starting from the simplified LCAO method, a tight-binding model in the two-center approximation is constructed. The Slater and Koster (SK) approach is used to calculate the parameters of the TB Hamiltonian. By using non-linear fitting approaches the optimal values of the SK parameters are obtained such that the TB energy eigenvalues are as close as possible to those from first-principles calculations. We obtain the expression for the Hamiltonian and the overlap matrix elements between the different orbitals of the different atoms in an orthogonal or non-orthogonal basis set. (C) 2020 Elsevier B.V. All rights reserved.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000541251200030 Publication Date 2020-05-18
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0010-4655 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 6.3 Times cited 27 Open Access
Notes ; This work was supported by the Methusalem program of the Flemish government, Belgium and M. Nakhaee was supported by a BOF-fellowship (UAntwerpen), Belgium. ; Approved Most recent IF: 6.3; 2020 IF: 3.936
Call Number UA @ admin @ c:irua:170149 Serial 6630
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Author (up) Nakhaee, M.; Ketabi, S.A.; Peeters, F.M.
Title Machine learning approach to constructing tight binding models for solids with application to BiTeCl Type A1 Journal article
Year 2020 Publication Journal Of Applied Physics Abbreviated Journal J Appl Phys
Volume 128 Issue 21 Pages 215107
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Finding a tight-binding (TB) model for a desired solid is always a challenge that is of great interest when, e.g., studying transport properties. A method is proposed to construct TB models for solids using machine learning (ML) techniques. The approach is based on the LCAO method in combination with Slater-Koster (SK) integrals, which are used to obtain optimal SK parameters. The lattice constant is used to generate training examples to construct a linear ML model. We successfully used this method to find a TB model for BiTeCl, where spin-orbit coupling plays an essential role in its topological behavior.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000597311900001 Publication Date 2020-12-03
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0021-8979; 1089-7550 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.2 Times cited 10 Open Access
Notes ; This work was supported by the Methusalem program of the Flemish government and was partially supported by BOF (UAntwerpen Grant Reference No. ADPERS/BAP/RS/ 2019). We would like to thank one of the anonymous referees for assisting us in making the paper more accessible to the reader. ; Approved Most recent IF: 3.2; 2020 IF: 2.068
Call Number UA @ admin @ c:irua:174380 Serial 6691
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Author (up) Nakhaee, M.; Yagmurcukardes, M.; Ketabi, S.A.; Peeters, F.M.
Title Single-layer structures of a100- and b010-Gallenene : a tight-binding approach Type A1 Journal article
Year 2019 Publication Physical chemistry, chemical physics Abbreviated Journal Phys Chem Chem Phys
Volume 21 Issue 28 Pages 15798-15804
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Using the simplified linear combination of atomic orbitals (LCAO) method in combination with ab initio calculations, we construct a tight-binding (TB) model for two different crystal structures of monolayer gallium: a(100)- and b(010)-Gallenene. The analytical expression for the Hamiltonian and numerical results for the overlap matrix elements between different orbitals of the Ga atoms and for the Slater and Koster (SK) integrals are obtained. We find that the compaction of different structures affects significantly the formation of the orbitals. The results for a(100)-Gallenene can be very well explained with an orthogonal basis set, while for b(010)-Gallenene we have to assume a non-orthogonal basis set in order to construct the TB model. Moreover, the transmission properties of nanoribbons of both monolayers oriented along the AC and ZZ directions are also investigated and it is shown that both AC- and ZZ-b(010)-Gallenene nanoribbons exhibit semiconducting behavior with zero transmission while those of a(100)-Gallenene nanoribbons are metallic.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000476603700057 Publication Date 2019-06-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1463-9076; 1463-9084 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.123 Times cited 14 Open Access
Notes ; This work is supported by the Methusalem program of the Flemish government and the FLAG-ERA project TRANS-2D-TMD. This work is supported by the Flemish Science Foundation (FWO-Vl) by a post-doctoral fellowship (M. Y.). M. N. is partially supported by BFO (Uantwerpen). ; Approved Most recent IF: 4.123
Call Number UA @ admin @ c:irua:161881 Serial 5427
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Author (up) Nasr Esfahani, D.; Covaci, L.; Peeters, F.M.
Title Electric-field-induced shift of the Mott metal-insulator transition in thin films 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 085110-085110,8
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The ground-state properties of a paramagnetic Mott insulator at half-filling are investigated in the presence of an external electric field using the inhomogeneous Gutzwiller approximation for a single-band Hubbard model in a slab geometry. We find that the metal-insulator transition is shifted toward higher Hubbard repulsions by applying an electric field perpendicular to the slab. The main reason is the accumulation of charges near the surface. The spatial distribution of site-dependent quasiparticle weight shows that it is maximal in a few layers beneath the surface, while the central sites where the field is screened have a very low quasiparticle weight. Our results show that above a critical-field value, states near the surface will be metallic, while the bulk quasiparticle weight is extremely suppressed but never vanishing, even for large Hubbard repulsions above the bulk zero-field critical value. Below the critical-field value, our results hint toward an insulating state in which the electric field is totally screened and the slab is again at half-filling.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000300240100002 Publication Date 2012-02-14
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-Vlaanderen) and the Belgian Science Policy (IAP). ; Approved Most recent IF: 3.836; 2012 IF: 3.767
Call Number UA @ lucian @ c:irua:97208 Serial 884
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Author (up) Nasr Esfahani, D.; Covaci, L.; Peeters, F.M.
Title Surface correlation effects in two-band strongly correlated slabs Type A1 Journal article
Year 2014 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat
Volume 26 Issue 7 Pages 075601-75609
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Using an extension of the Gutzwiller approximation for an inhomogeneous system, we study the two-band Hubbard model with unequal band widths for a slab geometry. The aim is to investigate the mutual effect of individual bands on the spatial distribution of quasi-particle weight and charge density, especially near the surface of the slab. The main effect of the difference in band width is the presence of two different length scales corresponding to the quasi-particle profile of each band. This is enhanced in the vicinity of the critical interaction of the narrow band where an orbitally selective Mott transition occurs and a surface dead layer forms for the narrow band. For the doped case, two different regimes of charge transfer between the surface and the bulk of the slab are revealed. The charge transfer from surface/ center to center/ surface depends on both the doping level and the average relative charge accumulated in each band. Such effects could also be of importance when describing the accumulation of charges at the interface between structures made of multi-band strongly correlated materials.
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Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos 000330719500009 Publication Date 2014-01-29
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 1 Open Access
Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem program of the Flemish government. One of us (LC) is a postdoctoral fellow of the FWO-Vl. ; Approved Most recent IF: 2.649; 2014 IF: 2.346
Call Number UA @ lucian @ c:irua:115723 Serial 3395
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Author (up) Nazar, N.D.; Vazifehshenas, T.; Ebrahimi, M.R.; Peeters, F.M.
Title Strong anisotropic optical properties of 8-Pmmn borophene : a many-body perturbation study Type A1 Journal article
Year 2021 Publication Physical Chemistry Chemical Physics Abbreviated Journal Phys Chem Chem Phys
Volume 23 Issue 30 Pages 16417-16422
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Using first-principles many-body perturbation theory, we investigate the optical properties of 8-Pmmn borophene at two levels of approximations; the GW method considering only the electron-electron interaction and the GW in combination with the Bethe-Salpeter equation including electron-hole coupling. The band structure exhibits anisotropic Dirac cones with semimetallic character. The optical absorption spectra are obtained for different light polarizations and we predict strong optical absorbance anisotropy. The absorption peaks undergo a global redshift when the electron-hole interaction is taken into account due to the formation of bound excitons which have an anisotropic excitonic wave function.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000677722700001 Publication Date 2021-07-21
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1463-9076; 1463-9084 ISBN Additional Links UA library record; WoS full record
Impact Factor 4.123 Times cited 4 Open Access Not_Open_Access
Notes Approved Most recent IF: 4.123
Call Number UA @ admin @ c:irua:180385 Serial 7022
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