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Author Vagov, A.; Shanenko, A.A.; Milošević, M.V.; Axt, V.M.; Vinokur, V.M.; Aguiar, J.A.; Peeters, F.M.
  Title Superconductivity between standard types: Multiband versus single-band materials Type A1 Journal article
  Year 2016 Publication Physical review B Abbreviated Journal Phys Rev B
  Volume 93 Issue 93 Pages 174503
  Keywords (down) A1 Journal article; Condensed Matter Theory (CMT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000375527500001 Publication Date 2016-05-06
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.836 Times cited 37 Open Access
  Notes Conselho Nacional de Desenvolvimento Científico e Tecnológico, 307552/2012-8 141911/2012-3 ; Fundação de Amparo à Ciência e Tecnologia do Estado de Pernambuco, APQ-0589-1.05/08 ; U.S. Department of Energy; Approved Most recent IF: 3.836
  Call Number CMT @ cmt @ c:irua:141732 Serial 4480
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Author Van der Donck, M.; Zarenia, M.; Peeters, F.M.
  Title Excitons and trions in monolayer transition metal dichalcogenides : a comparative study between the multiband model and the quadratic single-band model Type A1 Journal article
  Year 2017 Publication Physical review B Abbreviated Journal Phys Rev B
  Volume 96 Issue 3 Pages 035131
  Keywords (down) A1 Journal article; Condensed Matter Theory (CMT)
  Abstract The electronic and structural properties of excitons and trions in monolayer transition metal dichalcogenides are investigated using both a multiband and a single- band model. In the multiband model we construct the excitonic Hamiltonian in the product base of the single-particle states at the conduction and valence band edges. We decouple the corresponding energy eigenvalue equation and solve the resulting differential equation self-consistently, using the finite element method (FEM), to determine the energy eigenvalues and the wave functions. As a comparison, we also consider the simple single-band model which is often used in numerical studies. We solve the energy eigenvalue equation using the FEM as well as with the stochastic variational method (SVM) in which a variational wave function is expanded in a basis of a large number of correlated Gaussians. We find good agreement between the results of both methods, as well as with other theoretical works for excitons, and we also compare with available experimental data. For trions the agreement between both methods is not as good due to our neglect of angular correlations when using the FEM. Finally, when comparing the two models, we see that the presence of the valence bands in the mutiband model leads to differences with the single- band model when (interband) interactions are strong.
  Address
  Corporate Author Thesis
  Publisher American Physical Society Place of Publication New York, N.Y Editor
  Language Wos 000405706600005 Publication Date 2017-07-18
  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 50 Open Access
  Notes ; This work was supported by the Research Foundation of Flanders (FWO-Vl) through an aspirant research grant for MVDD. ; Approved Most recent IF: 3.836
  Call Number UA @ lucian @ c:irua:145209 Serial 4716
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Author Sevik, C.; Wallbank, J.R.; Gulseren, O.; Peeters, F.M.; Çakir, D.
  Title Gate induced monolayer behavior in twisted bilayer black phosphorus Type A1 Journal article
  Year 2017 Publication 2D materials Abbreviated Journal 2D Mater
  Volume 4 Issue 3 Pages 035025
  Keywords (down) A1 Journal article; Condensed Matter Theory (CMT)
  Abstract Optical and electronic properties of black phosphorus strongly depend on the number of layers and type of stacking. Using first-principles calculations within the framework of density functional theory, we investigate the electronic properties of bilayer black phosphorus with an interlayer twist angle of 90 degrees. These calculations are complemented with a simple (k) over right arrow . (p) over right arrow model which is able to capture most of the low energy features and is valid for arbitrary twist angles. The electronic spectrum of 90 degrees twisted bilayer black phosphorus is found to be x-y isotropic in contrast to the monolayer. However x-y anisotropy, and a partial return to monolayer-like behavior, particularly in the valence band, can be induced by an external out-of-plane electric field. Moreover, the preferred hole effective mass can be rotated by 90 degrees simply by changing the direction of the applied electric field. In particular, a +0.4 (-0.4) V angstrom(1) out-of-plane electric field results in a similar to 60% increase in the hole effective mass along the y (x) axis and enhances the m(y)*/m(x)* (m(x)*/m(y)*) ratio as much as by a factor of 40. Our DFT and (k) over right arrow . (p) over right arrow simulations clearly indicate that the twist angle in combination with an appropriate gate voltage is a novel way to tune the electronic and optical properties of bilayer phosphorus and it gives us a new degree of freedom to engineer the properties of black phosphorus based devices.
  Address
  Corporate Author Thesis
  Publisher IOP Publishing Place of Publication Bristol Editor
  Language Wos 000406926600001 Publication Date 2017-08-03
  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 ; This work was supported by the bilateral project between the The Scientific and Technological Research Council of Turkey (TUBITAK) and FWO-Flanders, Flemish Science Foundation (FWO-Vl) and the Methusalem foundation of the Flemish government. Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TRGrid e-Infrastructure), and HPC infrastructure of the University of Antwerp (CalcUA) a division of the Flemish Supercomputer Center (VSC), which is funded by the Hercules foundation. We acknowledge the support from TUBITAK (Grant No. 115F024), ERC Synergy grant Hetero2D and the EU Graphene Flagship Project. We also thank Vladimir Fal'ko for helpful discussions. ; Approved Most recent IF: 6.937
  Call Number UA @ lucian @ c:irua:145151 Serial 4717
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Author Milovanović, S.P.; Tadic, M.Z.; Peeters, F.M.
  Title Graphene membrane as a pressure gauge Type A1 Journal article
  Year 2017 Publication Applied physics letters Abbreviated Journal Appl Phys Lett
  Volume 111 Issue 4 Pages 043101
  Keywords (down) A1 Journal article; Condensed Matter Theory (CMT)
  Abstract Straining graphene results in the appearance of a pseudo-magnetic field which alters its local electronic properties. Applying a pressure difference between the two sides of the membrane causes it to bend/bulge resulting in a resistance change. We find that the resistance changes linearly with pressure for bubbles of small radius while the response becomes non-linear for bubbles that stretch almost to the edges of the sample. This is explained as due to the strong interference of propagating electronic modes inside the bubble. Our calculations show that high gauge factors can be obtained in this way which makes graphene a good candidate for pressure sensing. Published by AIP Publishing.
  Address
  Corporate Author Thesis
  Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
  Language Wos 000406779700035 Publication Date 2017-07-24
  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 11 Open Access
  Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl), the Methusalem program, the Erasmus+ programme, and the Serbian Ministry of Education, Science and Technological Development. ; Approved Most recent IF: 3.411
  Call Number UA @ lucian @ c:irua:145202 Serial 4718
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Author 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 (down) 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 Domingos, J.L.C.; Peeters, F.M.; Ferreira, W.P.
  Title Self-assembly of rigid magnetic rods consisting of single dipolar beads in two dimensions Type A1 Journal article
  Year 2017 Publication Physical review E Abbreviated Journal Phys Rev E
  Volume 96 Issue 1 Pages 012603
  Keywords (down) A1 Journal article; Condensed Matter Theory (CMT)
  Abstract Molecular dynamics simulations are used to investigate the structural properties of a two-dimensional ensemble of magnetic rods, which are modeled as aligned single dipolar beads. The obtained self-assembled configurations can be characterized as (1) clusters, (2) percolated, and (3) ordered structures, and their structural properties are investigated in detail. By increasing the aspect ratio of the magnetic rods, we show that the percolation transition is suppressed due to the reduced mobility of the rods in two dimensions. Such a behavior is opposite to the one observed in three dimensions. A magnetic bulk phase is found with local ferromagnetic order and an unusual nonmonotonic behavior of the nematic order is observed.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000405713900014 Publication Date 2017-07-18
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2470-0045;2470-0053; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.366 Times cited 8 Open Access
  Notes ; This work was supported by the Brazilian agencies FUNCAP, CAPES, program Science without borders, and CNPq (Project No. 400748/2013-4), the joint CNPq-FWO bilateral project, and the Flemish Science Foundation (FWO-V1). ; Approved Most recent IF: 2.366
  Call Number UA @ lucian @ c:irua:145210 Serial 4723
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Author Ghorbanfekr-Kalashami, H.; Peeters, F.M.; Novoselov, K.S.; Neek-Amal, M.
  Title Spatial design and control of graphene flake motion Type A1 Journal article
  Year 2017 Publication Physical review B Abbreviated Journal Phys Rev B
  Volume 96 Issue 6 Pages 060101
  Keywords (down) A1 Journal article; Condensed Matter Theory (CMT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher American Physical Society Place of Publication New York, N.Y Editor
  Language Wos 000406860300001 Publication Date 2017-08-04
  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 3 Open Access
  Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem program. M.N.-A. was supported by Iran National Science Foundation (INSF). K.S.N. was supported by the EU Graphene Flagship Program, European Research Council Synergy Grant Hetero2D, the Royal Society, Engineering and Physical Research Council (UK), US Army Research Office. ; Approved Most recent IF: 3.836
  Call Number UA @ lucian @ c:irua:145166 Serial 4724
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Author Zebrowski, D.P.; Peeters, F.M.; Szafran, B.
  Title Double quantum dots defined in bilayer graphene Type A1 Journal article
  Year 2017 Publication Physical review B Abbreviated Journal Phys Rev B
  Volume 96 Issue 3 Pages 035434
  Keywords (down) A1 Journal article; Condensed Matter Theory (CMT)
  Abstract Artificial molecular states of double quantum dots defined in bilayer graphene are studied with the atomistic tight-binding method and its low-energy continuum approximation. We indicate that the extended electron wave functions have opposite parities on sublattices of the layers and that the ground-state wave-function components change from bonding to antibonding with the interdot distance. In the weak-coupling limit, the one most relevant for quantum dots defined electrostatically, the signatures of the interdot coupling include, for the two-electron ground state, formation of states with symmetric or antisymmetric spatial wave functions split by the exchange energy. In the high-energy part of the spectrum the states with both electrons in the same dot are found with the splitting of energy levels corresponding to simultaneous tunneling of the electron pair from one dot to the other.
  Address
  Corporate Author Thesis
  Publisher American Physical Society Place of Publication New York, N.Y Editor
  Language Wos 000406284200005 Publication Date 2017-07-26
  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 6 Open Access
  Notes ; ; Approved Most recent IF: 3.836
  Call Number UA @ lucian @ c:irua:145758 Serial 4739
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Author Xiao, Y.M.; Xu, W.; Peeters, F.M.; Van Duppen, B.
  Title Multicomponent plasmons in monolayer MoS2 with circularly polarized optical pumping Type A1 Journal article
  Year 2017 Publication Physical review B Abbreviated Journal Phys Rev B
  Volume 96 Issue 8 Pages 085405
  Keywords (down) A1 Journal article; Condensed Matter Theory (CMT)
  Abstract By making use of circularly polarized light and electrostatic gating, monolayer molybdenum disulfide (ML – MoS2) can form a platform supporting multiple types of charge carriers. They can be discriminated by their spin, valley index, or whether they are electrons or holes. We investigate the collective properties of those charge carriers and are able to identify distinct plasmon modes. We analyze the corresponding dispersion relation, lifetime, and oscillator strength, and calculate the phase relation between the oscillations in the different components of the plasmon modes. All platforms in ML-MoS2 support a long-wavelength root q plasmon branch at zero kelvins. In addition to this, for an n-component system, n-1 distinct plasmon modes appear as acoustic modes with linear dispersion in the long-wavelength limit. These modes correspond to out-of-phase oscillations in the different fermion liquids and have, although being damped, a relatively long lifetime. Additionally, we also find distinct modes at large wave vectors that are more strongly damped by intraband processes.
  Address
  Corporate Author Thesis
  Publisher American Physical Society Place of Publication New York, N.Y Editor
  Language Wos 000406861600001 Publication Date 2017-08-04
  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 2 Open Access
  Notes ; Y.M.X. acknowledges financial support from the China Scholarship Council (CSC). B.V.D. is supported by the Flemish Science Foundation (FWO-Vl) through a postdoctoral fellowship. This work was also supported by the National Natural Science Foundation of China (Grants No. 11574319 and No. 11304272), the Ministry of Science and Technology of China (Grant No. 2011YQ130018), the Department of Science and Technology of Yunnan Province, the Applied Basic Research Foundation of Yunnan Province (2013FD003), and the Chinese Academy of Sciences. ; Approved Most recent IF: 3.836
  Call Number UA @ lucian @ c:irua:145729 Serial 4745
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Author Michel, K.H.; Scuracchio, P.; Peeters, F.M.
  Title Sound waves and flexural mode dynamics in two-dimensional crystals Type A1 Journal article
  Year 2017 Publication Physical review B Abbreviated Journal Phys Rev B
  Volume 96 Issue 9 Pages 094302
  Keywords (down) A1 Journal article; Condensed Matter Theory (CMT)
  Abstract Starting from a Hamiltonian with anharmonic coupling between in-plane acoustic displacements and outof-plane (flexural) modes, we derived coupled equations of motion for in-plane displacements correlations and flexural mode density fluctuations. Linear response theory and time-dependent thermal Green's functions techniques are applied in order to obtain different response functions. As external perturbations we allow for stresses and thermal heat sources. The displacement correlations are described by a Dyson equation where the flexural density distribution enters as an additional perturbation. The flexural density distribution satisfies a kinetic equation where the in-plane lattice displacements act as a perturbation. In the hydrodynamic limit this system of coupled equations is at the basis of a unified description of elastic and thermal phenomena, such as isothermal versus adiabatic sound motion and thermal conductivity versus second sound. The general theory is formulated in view of application to graphene, two-dimensional h-BN, and 2H-transition metal dichalcogenides and oxides.
  Address
  Corporate Author Thesis
  Publisher American Physical Society Place of Publication New York, N.Y Editor
  Language Wos 000409246200003 Publication Date 2017-09-05
  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 6 Open Access
  Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem program. ; Approved Most recent IF: 3.836
  Call Number UA @ lucian @ c:irua:145630 Serial 4751
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Author Saberi-Pouya, S.; Vazifehshenas, T.; Salavati-Fard, T.; Farmanbar, M.; Peeters, F.M.
  Title Strong anisotropic optical conductivity in two-dimensional puckered structures : the role of the Rashba effect Type A1 Journal article
  Year 2017 Publication Physical review B Abbreviated Journal Phys Rev B
  Volume 96 Issue 7 Pages 075411
  Keywords (down) A1 Journal article; Condensed Matter Theory (CMT)
  Abstract within the Kubo formalism. We show that the anisotropic Rashba effect caused by an external field significantly changes the magnitude of the spin splitting. Furthermore, we obtain an analytical expression for the longitudinal optical conductivity associated with interband transitions as a function of the frequency for arbitrary polarization angle. We find that the diagonal components of the optical conductivity tensor are direction dependent and the optical absorption spectrum exhibits a strongly anisotropic absorption window. The height and width of this absorption window are very sensitive to the anisotropy of the system. While the height of absorption peak increases with increasing effective mass anisotropy ratio, the peak intensity is larger when the light polarization is along the armchair direction. Moreover, the absorption peak width becomes broader as the density-of-states mass or Rashba interaction is enhanced. These features in the optical absorption spectrum can be used to determine parameters relevant for spintronics.
  Address
  Corporate Author Thesis
  Publisher American Physical Society Place of Publication New York, N.Y Editor
  Language Wos 000407097100005 Publication Date 2017-08-09
  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 16 Open Access
  Notes ; ; Approved Most recent IF: 3.836
  Call Number UA @ lucian @ c:irua:145725 Serial 4752
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Author Rezaei, M.; Sisakht, E.T.; Fazileh, F.; Aslani, Z.; Peeters, F.M.
  Title Tight-binding model investigation of the biaxial strain induced topological phase transition in GeCH3 Type A1 Journal article
  Year 2017 Publication Physical review B Abbreviated Journal Phys Rev B
  Volume 96 Issue 8 Pages 085441
  Keywords (down) A1 Journal article; Condensed Matter Theory (CMT)
  Abstract We propose a tight-binding (TB) model, that includes spin-orbit coupling (SOC), to describe the electronic properties of methyl-substituted germanane (GeCH3). This model gives an electronic spectrum in agreement with first principle results close to the Fermi level. Using the Z(2) formalism, we show that a topological phase transition from a normal insulator (NI) to a quantum spin Hall (QSH) phase occurs at 11.6% biaxial tensile strain. The sensitivity of the electronic properties of this system on strain, in particular its transition to the topological insulating phase, makes it very attractive for applications in strain sensors and other microelectronic applications.
  Address
  Corporate Author Thesis
  Publisher American Physical Society Place of Publication New York, N.Y Editor
  Language Wos 000408570800004 Publication Date 2017-08-29
  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 10 Open Access
  Notes ; ; Approved Most recent IF: 3.836
  Call Number UA @ lucian @ c:irua:145697 Serial 4755
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Author Li, L.L.; Moldovan, D.; Xu, W.; Peeters, F.M.
  Title Electronic properties of bilayer phosphorene quantum dots in the presence of perpendicular electric and magnetic fields Type A1 Journal article
  Year 2017 Publication Physical review B Abbreviated Journal Phys Rev B
  Volume 96 Issue 15 Pages 155425
  Keywords (down) A1 Journal article; Condensed Matter Theory (CMT)
  Abstract Using the tight-binding approach, we investigate the electronic properties of bilayer phosphorene (BLP) quantum dots (QDs) in the presence of perpendicular electric and magnetic fields. Since BLP consists of two coupled phosphorene layers, it is of interest to examine the layer-dependent electronic properties of BLP QDs, such as the electronic distributions over the two layers and the so-produced layer-polarization features, and to see how these properties are affected by the magnetic field and the bias potential. We find that in the absence of a bias potential only edge states are layer polarized while the bulk states are not, and the layer-polarization degree (LPD) of the unbiased edge states increases with increasing magnetic field. However, in the presence of a bias potential both the edge and bulk states are layer polarized, and the LPD of the bulk (edge) states depends strongly (weakly) on the interplay of the bias potential and the interlayer coupling. At high magnetic fields, applying a bias potential renders the bulk electrons in a BLP QD to be mainly distributed over the top or bottom layer, resulting in layer-polarized bulk Landau levels (LLs). In the presence of a large bias potential that can drive a semiconductor-to-semimetal transition in BLP, these bulk LLs exhibit different magnetic-field dependences, i.e., the zeroth LLs exhibit a linearlike dependence on the magnetic field while the other LLs exhibit a square-root-like dependence.
  Address
  Corporate Author Thesis
  Publisher American Physical Society Place of Publication New York, N.Y Editor
  Language Wos 000412699800005 Publication Date 2017-10-10
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.836 Times cited 28 Open Access
  Notes ; This work was financially supported by the Flemish Science Foundation (FWO-Vl), the National Natural Science Foundation of China (Grant No. 11574319), and the Chinese Academy of Sciences. ; Approved Most recent IF: 3.836
  Call Number UA @ lucian @ c:irua:146686 Serial 4782
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Author Mirzakhani, M.; Zarenia, M.; Vasilopoulos, P.; Ketabi, S.A.; Peeters, F.M.
  Title Landau levels in biased graphene structures with monolayer-bilayer interfaces Type A1 Journal article
  Year 2017 Publication Physical review B Abbreviated Journal Phys Rev B
  Volume 96 Issue 12 Pages 125430
  Keywords (down) A1 Journal article; Condensed Matter Theory (CMT)
  Abstract The electron energy spectrum in monolayer-bilayer-monolayer and in bilayer-monolayer-bilayer graphene structures is investigated and the effects of a perpendicular magnetic field and electric bias are studied. Different types of monolayer-bilayer interfaces are considered as zigzag (ZZ) or armchair (AC) junctions which modify considerably the bulk Landau levels (LLs) when the spectra are plotted as a function of the center coordinate of the cyclotron orbit. Far away from the two interfaces, one obtains the well-known LLs for extended monolayer or bilayer graphene. The LL structure changes significantly at the two interfaces or junctions where the valley degeneracy is lifted for both types of junctions, especially when the distance between them is approximately equal to the magnetic length. Varying the nonuniform bias and the width of this junction-to-junction region in either structure strongly influence the resulting spectra. Significant differences exist between ZZ and AC junctions in both structures. The densities of states (DOSs) for unbiased structures are symmetric in energy whereas those for biased structures are asymmetric. An external bias creates interface LLs in the gaps between the LLs of the unbiased system in which the DOS can be quite small. Such a pattern of LLs can be probed by scanning tunneling microscopy.
  Address
  Corporate Author Thesis
  Publisher American Physical Society Place of Publication New York, N.Y Editor
  Language Wos 000411321800003 Publication Date 2017-09-21
  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 6 Open Access
  Notes ; This work was supported by the BOF-UA (Bijzonder Onderzoeks Fonds), the Canadian NSERC through Grant No. OGP0121756 (P.V.), and the Methusalem Program of the Flemish Government. ; Approved Most recent IF: 3.836
  Call Number UA @ lucian @ c:irua:146746 Serial 4787
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Author Arsoski, V.V.; Grujić, M.M.; Čukarić, N.A.; Tadic, M.Z.; Peeters, F.M.
  Title Normal and skewed phosphorene nanoribbons in combined magnetic and electric fields Type A1 Journal article
  Year 2017 Publication Physical review B Abbreviated Journal Phys Rev B
  Volume 96 Issue 12 Pages 125434
  Keywords (down) A1 Journal article; Condensed Matter Theory (CMT)
  Abstract The energy spectrum and eigenstates of single-layer black phosphorus nanoribbons in the presence of a perpendicular magnetic field and an in-plane transverse electric field are investigated by means of a tight-binding method, and the effect of different types of edges is examined analytically. A description based on a continuum model is proposed using an expansion of the tight-binding model in the long-wavelength limit. Thewave functions corresponding to the flatband part of the spectrum are obtained analytically and are shown to agree well with the numerical results from the tight-binding method for both narrow (10 nm) and wide (100 nm) nanoribbons. Analytical expressions for the critical magnetic field at which Landau levels are formed and the ranges of wave numbers in the dispersionless flatband segments in the energy spectra are derived. We examine the evolution of the Landau levels when an in-plane lateral electric field is applied, and we determine analytically how the edge states shift withmagnetic field. For wider nanoribbons, the conductance is shown to have a characteristic staircase shape in combined magnetic and electric fields. Some of the stairs in zigzag and skewed armchair nanoribbons originate from edge states that are found in the band gap.
  Address
  Corporate Author Thesis
  Publisher American Physical Society Place of Publication New York, N.Y Editor
  Language Wos 000411572400008 Publication Date 2017-09-25
  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 8 Open Access
  Notes ; This work was supported by Erasmus+, the Serbian Ministry of Education, Science and Technological Development, and the Flemish Science Foundation (FWO-Vl). ; Approved Most recent IF: 3.836
  Call Number UA @ lucian @ c:irua:146738 Serial 4791
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Author Abdullah, H.M.; Van Duppen, B.; Zarenia, M.; Bahlouli, H.; Peeters, F.M.
  Title Quantum transport across van der Waals domain walls in bilayer graphene Type A1 Journal article
  Year 2017 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat
  Volume 29 Issue 42 Pages 425303
  Keywords (down) A1 Journal article; Condensed Matter Theory (CMT)
  Abstract Bilayer graphene can exhibit deformations such that the two graphene sheets are locally detached from each other resulting in a structure consisting of domains with different van der Waals inter-layer coupling. Here we investigate how the presence of these domains affects the transport properties of bilayer graphene. We derive analytical expressions for the transmission probability, and the corresponding conductance, across walls separating different inter-layer coupling domains. We find that the transmission can exhibit a valley-dependent layer asymmetry and that the domain walls have a considerable effect on the chiral tunnelling properties of the charge carriers. We show that transport measurements allow one to obtain the strength with which the two layers are coupled. We perform numerical calculations for systems with two domain walls and find that the availability of multiple transport channels in bilayer graphene significantly modifies the conductance dependence on inter-layer potential asymmetry.
  Address
  Corporate Author Thesis
  Publisher Place of Publication London Editor
  Language Wos 000410958400001 Publication Date 2017-07-24
  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 15 Open Access
  Notes ; HMA and HB acknowledge the Saudi Center for Theoretical Physics (SCTP) for their generous support and the support of KFUPM under physics research group projects RG1502-1 and RG1502-2. This work is supported by the Flemish Science Foundation (FWO-VI) by a post-doctoral fellowship (BVD). ; Approved Most recent IF: 2.649
  Call Number UA @ lucian @ c:irua:146664 Serial 4793
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Author Lane, T.L.M.; Andelkovic, M.; Wallbank, J.R.; Covaci, L.; Peeters, F.M.; Fal'ko, V.I.
  Title Ballistic electron channels including weakly protected topological states in delaminated bilayer graphene Type A1 Journal article
  Year 2018 Publication Physical review B Abbreviated Journal Phys Rev B
  Volume 97 Issue 4 Pages 045301
  Keywords (down) A1 Journal article; Condensed Matter Theory (CMT)
  Abstract <script type='text/javascript'>document.write(unpmarked('We show that delaminations in bilayer graphene (BLG) with electrostatically induced interlayer symmetry can provide one with ballistic channels for electrons with energies inside the electrostatically induced BLG gap. These channels are formed by a combination of valley-polarized evanescent states propagating along the delamination edges (which persist in the presence of a strong magnetic field) and standing waves bouncing between them inside the delaminated region (in a strong magnetic field, these transform into Landau levels in the monolayers). For inverted stackings in BLGs on the left and right of the delamination (AB-2ML-BA or BA-2ML-AB, where 2ML indicates two decoupled monolayers of graphene), the lowest-energy ballistic channels are gapless, have linear dispersion, and appear to be weakly topologically protected. When BLG stackings on both sides of the delamination are the same (AB-2ML-AB or BA-2ML-BA), the lowest-energy ballistic channels are gapped, with a gap epsilon(g) scaling as epsilon(g) alpha W-1 with delamination width and epsilon(g) alpha delta(-1) with the on-layer energy difference in the delaminated part of the structure. Depending on the width, delaminations may also support several \u0022higher-energy\u0022 waveguide modes. Our results are based on both the analytical study of the wave matching of Dirac states and tight-binding model calculations, and we analyze in detail the dependence of the delamination spectrum on the electrostatic conditions in the structure, such as the vertical displacement field.'));
  Address
  Corporate Author Thesis
  Publisher American Physical Society Place of Publication New York, N.Y Editor
  Language Wos 000419772200005 Publication Date 2018-01-11
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.836 Times cited 11 Open Access
  Notes ; This work was funded by EPSRC via EPSRC Grand Engineering Chellenges Grant No. EP/N010345, the Manchester NOWNANO CDT EP/L-1548X, the Flemish Science Foundation (FWO-VI), the European Graphene Flagship project, ERC Synergy grant Hetero2D, and FLAG-ERA project TRANS2DTMD. The authors would like to acknowledge useful discussions with M. Zarenia, S. Slizovskiy, E. McCann, and K. Novesolov. ; Approved Most recent IF: 3.836
  Call Number UA @ lucian @ c:irua:148441UA @ admin @ c:irua:148441 Serial 4868
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Author Jakovljevic, D.Z.; Grujic, M.M.; Tadic, M.Z.; Peeters, F.M.
  Title Helical edge states in silicene and germanene nanorings in perpendicular magnetic field Type A1 Journal article
  Year 2018 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat
  Volume 30 Issue 3 Pages 035301
  Keywords (down) A1 Journal article; Condensed Matter Theory (CMT)
  Abstract <script type='text/javascript'>document.write(unpmarked('Due to nonzero intrinsic spin-orbit interaction in buckled honeycomb crystal structures, silicene and germanene exhibit interesting topological properties, and are therefore candidates for the realization of the quantum spin Hall effect. We employ the Kane-Mele model to investigate the electron states in hexagonal silicene and germanene nanorings having either zigzag or armchair edges in the presence of a perpendicular magnetic field. We present results for the energy spectra as function of magnetic field, the electron density of the spin-up and spin-down states in the ring plane, and the calculation of the probability current density. The quantum spin Hall phase is found at the edges between the nontrivial topological phase in silicene and germanene and vacuum. We demonstrate that the helical edge states in zigzag silicene and germanene nanorings can be qualitatively well understood by means of classical magnetic moments. However, this is not the case for comparable-sized armchair nanorings, where the eigenfunctions spread throughout the ring. Finally, we note that the energy spectra of silicene and germanene nanorings are similar and that the differences between the two are mainly related to the difference in magnitude of the spin-orbit coupling.'));
  Address
  Corporate Author Thesis
  Publisher Place of Publication London Editor
  Language Wos 000418354400001 Publication Date 2017-11-30
  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 ; This work was supported by Erasmus+ and the Serbian Ministry of Education, Science and Technological Development (Project No. III45003). ; Approved Most recent IF: 2.649
  Call Number UA @ lucian @ c:irua:148426UA @ admin @ c:irua:148426 Serial 4878
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Author 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 (down) 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 Conti, S.; Perali, A.; Peeters, F.M.; Neilson, D.
  Title Multicomponent electron-hole superfluidity and the BCS-BEC crossover in double bilayer graphene Type A1 Journal article
  Year 2017 Publication Physical review letters Abbreviated Journal Phys Rev Lett
  Volume 119 Issue 25 Pages 257002
  Keywords (down) A1 Journal article; Condensed Matter Theory (CMT)
  Abstract <script type='text/javascript'>document.write(unpmarked('Superfluidity in coupled electron-hole sheets of bilayer graphene is predicted here to be multicomponent because of the conduction and valence bands. We investigate the superfluid crossover properties as functions of the tunable carrier densities and the tunable energy band gap Eg. For small band gaps there is a significant boost in the two superfluid gaps, but the interaction-driven excitations from the valence to the conduction band can weaken the superfluidity, even blocking the system from entering the Bose-Einstein condensate (BEC) regime at low densities. At a given larger density, a band gap E-g similar to 80-120 meV can carry the system into the strong-pairing multiband BCS-BEC crossover regime, the optimal range for realization of high-Tc superfluidity.'));
  Address
  Corporate Author Thesis
  Publisher Place of Publication New York, N.Y. Editor
  Language Wos 000418619100017 Publication Date 2017-12-22
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0031-9007 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 8.462 Times cited 18 Open Access
  Notes ; We thank Mohammad Zarenia for useful discussions. Part of this work was supported by FWO-VI (Flemish Science Foundation) and the Methusalem program. ; Approved Most recent IF: 8.462
  Call Number UA @ lucian @ c:irua:148509 Serial 4885
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Author Chen, Q.; Li, L.L.; Peeters, F.M.
  Title Magnetic field dependence of electronic properties of MoS2 quantum dots with different edges Type A1 Journal article
  Year 2018 Publication Physical review B Abbreviated Journal Phys Rev B
  Volume 97 Issue 8 Pages 085437
  Keywords (down) A1 Journal article; Condensed Matter Theory (CMT)
  Abstract Using the tight-binding approach, we investigate the energy spectrum of square, triangular, and hexagonal MoS2 quantum dots (QDs) in the presence of a perpendicular magnetic field. Novel edge states emerge in MoS2 QDs, which are distributed over the whole edge which we call ring states. The ring states are robust in the presence of spin-orbit coupling (SOC). The corresponding energy levels of the ring states oscillate as a function of the perpendicular magnetic field which are related to Aharonov-Bohm oscillations. Oscillations in the magnetic field dependence of the energy levels and the peaks in the magneto-optical spectrum emerge (disappear) as the ring states are formed (collapsed). The period and the amplitude of the oscillation decrease with the size of the MoS2 QDs.
  Address
  Corporate Author Thesis
  Publisher American Physical Society Place of Publication New York, N.Y Editor
  Language Wos 000426042800009 Publication Date 2018-02-26
  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 18 Open Access
  Notes ; Q. Chen acknowledges financial support from the (China Scholarship Council (CSC)). This work was also supported by Hunan Provincial Natural Science Foundation of China (Grant No. 2015JJ2040) and by the Scientific Research Fund of Hunan Provincial Education Department (Grant No. 15A042). Additional support from the FLAG-ERA TRANS-2D-TMD is acknowledged. ; Approved Most recent IF: 3.836
  Call Number UA @ lucian @ c:irua:149905UA @ admin @ c:irua:149905 Serial 4941
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Author Wang, W.; Van Duppen, B.; Van der Donck, M.; Peeters, F.M.
  Title Magnetopolaron effect on shallow-impurity states in the presence of magnetic and intense terahertz laser fields in the Faraday configuration Type A1 Journal article
  Year 2018 Publication Physical review B Abbreviated Journal Phys Rev B
  Volume 97 Issue 6 Pages 064108
  Keywords (down) A1 Journal article; Condensed Matter Theory (CMT)
  Abstract The magnetopolaron effect on shallow-impurity states in semiconductors is investigated when subjected simultaneously to a magnetic field and an intense terahertz laser field within the Faraday configuration. We use a time-dependent nonperturbative theory to describe electron interactions. The externally applied fields are exactly included via a laser-dressed interaction potential. Through a variational approach we evaluate the binding energy of the shallow-impurity states. We find that the interaction strength of the laser-dressed Coulomb potential can not only be enhanced but also weakened by varying the two external fields. In this way, the binding energy can be tuned by the external fields and red-or blue-shifted with respect to the static binding energy. In the nonresonant polaron region, a magnetopolaron correction that includes the effects of photon process is observed. In the resonant polaron region, moreover, the resonant magnetopolaron effect accompanied by the emission and absorption of a single photon is distinctly observed. This can be modulated to be far away from the reststrahlen band. The intriguing findings of this paper can be observed experimentally and, in turn, provide a way to measure the strength of the electron-phonon interaction.
  Address
  Corporate Author Thesis
  Publisher American Physical Society Place of Publication New York, N.Y Editor
  Language Wos 000426041900004 Publication Date 2018-02-26
  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 9 Open Access
  Notes ; This work was supported by the National Natural Science Foundation of China (Grants No. 11404214 and No. 11455015) and the China Scholarship Council (CSC), Anhui Provincial Natural Science Foundation (Grant No. 1408085QA13), Key Projects of Anhui Provincial Department of Education (Grants No. KJ2017A406 and No. KJ2017A401). B.V.D. was financially supported by the Research Science Foundation-Flanders (FWO-Vl) through a postdoctoral fellowship and M.V.d.D. was financially supported by the Research Science Foundation-Flanders (FWO-Vl) through a doctoral fellowship. ; Approved Most recent IF: 3.836
  Call Number UA @ lucian @ c:irua:149906UA @ admin @ c:irua:149906 Serial 4942
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Author Li, L.L.; Peeters, F.M.
  Title Quantum transport in defective phosphorene nanoribbons : effects of atomic vacancies Type A1 Journal article
  Year 2018 Publication Physical review B Abbreviated Journal Phys Rev B
  Volume 97 Issue 7 Pages 075414
  Keywords (down) A1 Journal article; Condensed Matter Theory (CMT)
  Abstract Defects are almost inevitably present in realistic materials and defective materials are expected to exhibit very different properties than their nondefective (perfect) counterparts. Here, using a combination of the tight-binding approach and the scattering matrix formalism, we investigate the electronic transport properties of defective phosphorene nanoribbons (PNRs) containing atomic vacancies. We find that for both armchair PNRs (APNRs) and zigzag PNRs (ZPNRs), single vacancies can create quasilocalized states, which can affect their conductance. With increasing vacancy concentration, three different transport regimes are identified: ballistic, diffusive, and Anderson localized ones. In particular, ZPNRs that are known to be metallic due to the presence of edge states become semiconducting: edge conductance vanishes and transport gap appears due to Anderson localization. Moreover, we find that for a fixed vacancy concentration, both APNRs and ZPNRs of narrower width and/or longer length are more sensitive to vacancy disorder than their wider and/or shorter counterparts, and that for the same ribbon length and width, ZPNRs are more sensitive to vacancy disorder than APNRs.
  Address
  Corporate Author Thesis
  Publisher American Physical Society Place of Publication New York, N.Y Editor
  Language Wos 000424901800006 Publication Date 2018-02-13
  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 30 Open Access
  Notes ; This work was financially supported by the Flemish Science Foundation (FWO-Vl), the FLAG-ERA TRANS 2D TMD, and by the Chinese Academy of Sciences (CAS). ; Approved Most recent IF: 3.836
  Call Number UA @ lucian @ c:irua:149255UA @ admin @ c:irua:149255 Serial 4946
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Author Van der Donck, M.; Zarenia, M.; Peeters, F.M.
  Title Strong valley Zeeman effect of dark excitons in monolayer transition metal dichalcogenides in a tilted magnetic field Type A1 Journal article
  Year 2018 Publication Physical review B Abbreviated Journal Phys Rev B
  Volume 97 Issue 8 Pages 081109
  Keywords (down) A1 Journal article; Condensed Matter Theory (CMT)
  Abstract The dependence of the excitonic photoluminescence (PL) spectrum of monolayer transition metal dichalcogenides (TMDs) on the tilt angle of an applied magnetic field is studied. Starting from a four-band Hamiltonian we construct a theory which quantitatively reproduces the available experimental PL spectra for perpendicular and in-plane magnetic fields. In the presence of a tilted magnetic field, we demonstrate that the dark exciton PL peaks brighten due to the in-plane component of the magnetic field and split for light with different circular polarizations as a consequence of the perpendicular component of the magnetic field. This splitting is more than twice as large as the splitting of the bright exciton peaks in tungsten-based TMDs. We propose an experimental setup that will allow for accessing the predicted splitting of the dark exciton peaks in the PL spectrum.
  Address
  Corporate Author Thesis
  Publisher American Physical Society Place of Publication New York, N.Y Editor
  Language Wos 000425603600001 Publication Date 2018-02-21
  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 21 Open Access
  Notes ; This Rapid Communication was supported by the Research Foundation of Flanders (FWO-Vl) through an aspirant research grant for MVDD and by the Methusalem Foundation of the Flemish Government. ; Approved Most recent IF: 3.836
  Call Number UA @ lucian @ c:irua:149913UA @ admin @ c:irua:149913 Serial 4948
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Author Gonzalez-Garcia, A.; Lopez-Perez, W.; Rivera-Julio, J.; Peeters, F.M.; Mendoza-Estrada, V.; Gonzalez-Hernandez, R.
  Title Structural, mechanical and electronic properties of two-dimensional structure of III-arsenide (111) binary compounds: An ab-initio study Type A1 Journal article
  Year 2018 Publication Computational materials science Abbreviated Journal Comp Mater Sci
  Volume 144 Issue 144 Pages 285-293
  Keywords (down) A1 Journal article; Condensed Matter Theory (CMT)
  Abstract Structural, mechanical and electronic properties of two-dimensional single-layer hexagonal structures in the (111) crystal plane of IIIAs-ZnS systems (III = B, Ga and In) are studied by first-principles calculations based on density functional theory (DFT). Elastic and phonon dispersion relation display that 2D h-IIIAs systems (III = B, Ga and In) are both mechanical and dynamically stable. Electronic structures analysis show that the semiconducting nature of the 3D-IIIAs compounds is retained by their 2D single layer counterpart. Furthermore, density of states reveals the influence of sigma and pi bonding in the most stable geometry (planar or buckled) for 2D h-IIIAs systems. Calculations of elastic constants show that the Young's modulus, bulk modulus and shear modulus decrease for 2D h-IIIAs binary compounds as we move down on the group of elements of the periodic table. In addition, as the bond length between the neighboring cation-anion atoms increases, the 2D h-IIIAs binary compounds display less stiffness and more plasticity. Our findings can be used to understand the contribution of the r and p bonding in the most stable geometry (planar or buckled) for 2D h-IIIAs systems. Structural and electronic properties of h-IIIAs systems as a function of the number of layers have been also studied. It is shown that h-BAs keeps its planar geometry while both h-GAs and h-InAs retained their buckled ones obtained by their single layers. Bilayer h-IIIAs present the same bandgap nature of their counterpart in 3D. As the number of layers increase from 2 to 4, the bandgap width for layered h-IIIAs decreases until they become semimetal or metal. Interestingly, these results are different to those found for layered h-GaN. The results presented in this study for single and few-layer h-IIIAs structures could give some physical insights for further theoretical and experimental studies of 2D h-IIIV-like systems. (C) 2017 Elsevier B.V. All rights reserved.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000424902300036 Publication Date 2017-12-29
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0927-0256 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.292 Times cited 3 Open Access
  Notes ; This work has been carried out by the financial support of Universidad del Norte and Colciencias (Administrative Department of Science, Technology and Research of Colombia) under Convocatoria 712 – Convocatoria para proyectos de investigacion en Ciencias Basicas, ano 2015, Cod: 121571250192, Contrato 110-216. ; Approved Most recent IF: 2.292
  Call Number UA @ lucian @ c:irua:149897UA @ admin @ c:irua:149897 Serial 4949
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Author Cavalcante, L.S.R.; Chaves, A.; Van Duppen, B.; Peeters, F.M.; Reichman, D.R.
  Title Electrostatics of electron-hole interactions in van der Waals heterostructures Type A1 Journal article
  Year 2018 Publication Physical review B Abbreviated Journal Phys Rev B
  Volume 97 Issue 12 Pages 125427
  Keywords (down) A1 Journal article; Condensed Matter Theory (CMT)
  Abstract The role of dielectric screening of electron-hole interaction in van der Waals heterostructures is theoretically investigated. A comparison between models available in the literature for describing these interactions is made and the limitations of these approaches are discussed. A simple numerical solution of Poisson's equation for a stack of dielectric slabs based on a transfer matrix method is developed, enabling the calculation of the electron-hole interaction potential at very low computational cost and with reasonable accuracy. Using different potential models, direct and indirect exciton binding energies in these systems are calculated within Wannier-Mott theory, and a comparison of theoretical results with recent experiments on excitons in two-dimensional materials is discussed.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000427983700007 Publication Date 2018-03-21
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.836 Times cited 22 Open Access
  Notes Discussions with A. Chernikov and A. Raja are gratefully acknowledged. This work has been financially supported by CNPq, through the PRONEX/FUNCAP, PQ, and Science Without Borders programs, and the FWO-CNPq bilateral program between Brazil and Flanders. B.V.D. acknowledges support from the Flemish Science Foundation (FWO-Vl) through a postdoctoral fellowship. D.R.R. was supported by NSF CHE-1464802. Approved Most recent IF: 3.836
  Call Number CMT @ cmt @c:irua:150835UA @ admin @ c:irua:150835 Serial 4953
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Author Andelkovic, M.; Covaci, L.; Peeters, F.M.
  Title DC conductivity of twisted bilayer graphene: Angle-dependent transport properties and effects of disorder Type A1 Journal article
  Year 2018 Publication Physical review materials Abbreviated Journal
  Volume 2 Issue 3 Pages 034004
  Keywords (down) A1 Journal article; Condensed Matter Theory (CMT)
  Abstract The in-plane dc conductivity of twisted bilayer graphene is calculated using an expansion of the real-space Kubo-Bastin conductivity in terms of Chebyshev polynomials. We investigate within a tight-binding approach the transport properties as a function of rotation angle, applied perpendicular electric field, and vacancy disorder. We find that for high-angle twists, the two layers are effectively decoupled, and the minimum conductivity at the Dirac point corresponds to double the value observed in monolayer graphene. This remains valid even in the presence of vacancies, hinting that chiral symmetry is still preserved. On the contrary, for low twist angles, the conductivity at the Dirac point depends on the twist angle and is not protected in the presence of disorder. Furthermore, for low angles and in the presence of an applied electric field, we find that the chiral boundary states emerging between AB and BA regions contribute to the dc conductivity, despite the appearance of localized states in the AA regions. The results agree qualitatively with recent transport experiments in low-angle twisted bilayer graphene.
  Address
  Corporate Author Thesis
  Publisher American Physical Society Place of Publication College Park, Md Editor
  Language Wos 000427822700002 Publication Date 2018-03-20
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2475-9953 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor Times cited 27 Open Access
  Notes ; We acknowledge financial support from the graphene FLAG-ERA project TRANS2DTMD. ; Approved Most recent IF: NA
  Call Number UA @ lucian @ c:irua:150838UA @ admin @ c:irua:150838 Serial 4964
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Author Mei, H.; Xu, W.; Wang, C.; Yuan, H.; Zhang, C.; Ding, L.; Zhang, J.; Deng, C.; Wang, Y.; Peeters, F.M.
  Title Terahertz magneto-optical properties of bi- and tri-layer graphene Type A1 Journal article
  Year 2018 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat
  Volume 30 Issue 17 Pages 175701
  Keywords (down) A1 Journal article; Condensed Matter Theory (CMT)
  Abstract Magneto-optical (MO) properties of bi- and tri-layer graphene are investigated utilizing terahertz time-domain spectroscopy (THz TDS) in the presence of a strong magnetic field at room-temperature. In the Faraday configuration and applying optical polarization measurements, we measure the real and imaginary parts of the longitudinal and transverse MO conductivities of different graphene samples. The obtained experimental data fits very well with the classical MO Drude formula. Thus, we are able to obtain the key sample and material parameters of bi- and tri-layer graphene, such as the electron effective mass, the electronic relaxation time and the electron density. It is found that in high magnetic fields the electronic relaxation time tau for bi- and tri-layer graphene increases with magnetic field B roughly in a form tau similar to B-2. Most importantly, we obtain the electron effective mass for bi- and tri-layer graphene at room-temperature under non-resonant conditions. This work shows how the advanced THz MO techniques can be applied for the investigation into fundamental physics properties of atomically thin 2D electronic systems.
  Address
  Corporate Author Thesis
  Publisher Place of Publication London Editor
  Language Wos 000429329500001 Publication Date 2018-03-20
  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 11 Open Access
  Notes ; This work was supported by the National Natural Science Foundation of China (11574319, 11304317, 11304272), the Ministry of Science and Technology of China (2011YQ130018), the Center of Science and Technology of Hefei Academy of Science, the Department of Science and Technology of Yunnan Province, and by the Chinese Academy of Sciences. ; Approved Most recent IF: 2.649
  Call Number UA @ lucian @ c:irua:150715UA @ admin @ c:irua:150715 Serial 4983
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Author Peymanirad, F.; Singh, S.K.; Ghorbanfekr-Kalashami, H.; Novoselov, K.S.; Peeters, F.M.; Neek-Amal, M.
  Title Thermal activated rotation of graphene flake on graphene Type A1 Journal article
  Year 2017 Publication 2D materials Abbreviated Journal 2D Mater
  Volume 4 Issue 2 Pages 025015
  Keywords (down) A1 Journal article; Condensed Matter Theory (CMT)
  Abstract The self rotation of a graphene flake over graphite is controlled by the size, initial misalignment and temperature. Using both ab initio calculations and molecular dynamics simulations, we investigate annealing effects on the self rotation of a graphene flake on a graphene substrate. The energy barriers for rotation and drift of a graphene flake over graphene is found to be smaller than 25 meV/atom which is comparable to thermal energy. We found that small flakes (of about similar to 4 nm) are more sensitive to temperature and initial misorientation angles than larger one (beyond 10 nm). The initial stacking configuration of the flake is found to be important for its dynamics and time evolution of misalignment. Large flakes, which are initially in the AA-or AB-stacking state with small misorientation angle, rotate and end up in the AB-stacking configuration. However small flakes can they stay in an incommensurate state specially when the initial misorientation angle is larger than 2 degrees. Our results are in agreement with recent experiments.
  Address
  Corporate Author Thesis
  Publisher IOP Publishing Place of Publication Bristol Editor
  Language Wos 000424399600005 Publication Date 2017-02-02
  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 16 Open Access
  Notes ; We would like to acknowledge Annalisa Fasolino and MM van Wijk for providing us with the implemented parameters of REBO-KC [5] in LAMMPS. This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem foundation. ; Approved Most recent IF: 6.937
  Call Number UA @ lucian @ c:irua:149364 Serial 4984
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Author 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 (down) 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.
  Address
  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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