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Author Zhu, J.-J.; Badalyan, S.M.; Peeters, F.M. url  doi
openurl 
  Title Plasmonic excitations in Coulomb-coupled N-layer graphene structures Type A1 Journal article
  Year (up) 2013 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 87 Issue 8 Pages 085401-85408  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We study Dirac plasmons and their damping in spatially separated N-layer graphene structures at finite doping and temperatures. The plasmon spectrum consists of one optical excitation with square-root dispersion and N – 1 acoustical excitations with linear dispersion, which are undamped at zero temperature and finite doping within a triangular energy region outside the electron-hole continuum. In the long-wavelength limit the energy and weight of the optical plasmon modes increase, respectively, as the square root and linearly with N in agreement with recent experimental findings. The energy and weight of the upper-lying acoustical branches also increase with N. This increase is strongest for the uppermost acoustical mode, and we find that its energy can exceed at some value of momentum the plasmon energy in an individual graphene sheet. Meanwhile, the energy of the low-lying acoustical branches decreases weakly with N as compared with the single acoustical mode in double-layer graphene structures. Our numerical calculations provide a detailed understanding of the overall behavior of the wave-vector dependence of the optical and acoustical multilayer plasmon modes and show how their dispersion and damping are modified as a function of temperature, interlayer spacing, and inlayer carrier density in (un)balanced graphene multilayer structures. DOI: 10.1103/PhysRevB.87.085401  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000314682900005 Publication Date 2013-02-05  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 59 Open Access  
  Notes ; This work was supported by the ESF-Eurocores program EuroGRAPHENE (CONGRAN project) and the Flemish Science Foundation (FWO-Vl). ; Approved Most recent IF: 3.836; 2013 IF: 3.664  
  Call Number UA @ lucian @ c:irua:107671 Serial 2645  
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Author Gomez, A.; Gonzalez, E.M.; Gilbert, D.A.; Milošević, M.V.; Liu, K.; Vicent, J.L. pdf  doi
openurl 
  Title Probing the dynamic response of antivortex, interstitial and trapped vortex lattices on magnetic periodic pinning potentials Type A1 Journal article
  Year (up) 2013 Publication Superconductor science and technology Abbreviated Journal Supercond Sci Tech  
  Volume 26 Issue 8 Pages 085018-8  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The dynamics of the pinned vortex, antivortex and interstitial vortex have been studied in superconducting/magnetic hybrids consisting of arrays of Co/Pd multilayer nanodots embedded in Nb films. The magnetic nanodots show out-of-plane magnetization at the remanent state. This magnetic state allows for superconducting vortex lattices of different types in an applied homogeneous magnetic field. We experimentally and theoretically show three such lattices: (i) a lattice containing only antivortices; (ii) a vortex lattice entirely pinned on the dots; and (iii) a vortex lattice with pinned and interstitial vortices. Between the flux creep (low vortex velocity) and the free flux flow (high vortex velocity) regimes the interaction between the magnetic array and the vortex lattice governs the vortex dynamics, which in turn enables distinguishing experimentally the type of vortex lattice which governs the dissipation. We show that the vortex lattice with interstitial vortices has the highest onset velocity where the lattice becomes ordered, whereas the pinned vortex lattice has the smallest onset velocity. Further, for this system, we directly estimate that the external force needed to depin vortices is 60% larger than the one needed to depin antivortices; therefore we are able to decouple the antivortex-vortex motion.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Bristol Editor  
  Language Wos 000321709400024 Publication Date 2013-07-02  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0953-2048;1361-6668; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.878 Times cited 7 Open Access  
  Notes ; This work was supported by Spanish MINECO, grants FIS2008-06249 (Grupo Consolidado), Consolider CSD2007-00010 and CAM grant S2009/MAT-1726. MVM acknowledges support from FWO-Vlaanderen. Work at UCD was supported by the US NSF (DMR-1008791 and ECCS-0925626). ; Approved Most recent IF: 2.878; 2013 IF: 2.796  
  Call Number UA @ lucian @ c:irua:109785 Serial 2716  
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Author Masir, M.R.; Moldovan, D.; Peeters, F.M. pdf  doi
openurl 
  Title Pseudo magnetic field in strained graphene : revisited Type A1 Journal article
  Year (up) 2013 Publication Solid state communications Abbreviated Journal Solid State Commun  
  Volume 175 Issue Pages 76-82  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We revisit the theory of the pseudo magnetic field as induced by strain in graphene using the tight- binding approach. A systematic expansion of the hopping parameter and the deformation of the lattice vectors is presented from which we obtain an expression for the pseudo magnetic field for low energy electrons. We generalize and discuss previous results and propose a novel effective Hamiltonian. The contributions of the different terms to the pseudo field expression are investigated for a model triaxial strain profile and are compared with the full solution. Our work suggests that the previous proposed pseudo magnetic field expression is valid up to reasonably high strain (15%) and there is no K-dependent pseudo-magnetic field.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication New York, N.Y. Editor  
  Language Wos 000329538200010 Publication Date 2013-04-06  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0038-1098; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.554 Times cited 57 Open Access  
  Notes This work was supported by the Flemish Science Foundation (FWO-Vl), the European Science Foundation (ESF) under the EURO- CORES Program EuroGRAPHENE within the project CONGRAN and the Methusalem programme of the Flemish government. Approved Most recent IF: 1.554; 2013 IF: 1.698  
  Call Number UA @ lucian @ c:irua:114805 Serial 2737  
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Author Dixit, H.; Lamoen, D.; Partoens, B. pdf  doi
openurl 
  Title Quasiparticle band structure of rocksalt-CdO determined using maximally localized Wannier functions Type A1 Journal article
  Year (up) 2013 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat  
  Volume 25 Issue 3 Pages 035501-35505  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)  
  Abstract CdO in the rocksalt structure is an indirect band gap semiconductor. Thus, in order to determine its band gap one needs to calculate the complete band structure. However, in practice, the exact evaluation of the quasiparticle band structure for the large number of k-points which constitute the different symmetry lines in the Brillouin zone can be an extremely demanding task compared to the standard density functional theory (DFT) calculation. In this paper we report the full quasiparticle band structure of CdO using a plane-wave pseudopotential approach. In order to reduce the computational effort and time, we make use of maximally localized Wannier functions (MLWFs). The MLWFs offer a highly accurate method for interpolation of the DFT or GW band structure from a coarse k-point mesh in the irreducible Brillouin zone, resulting in a much reduced computational effort. The present paper discusses the technical details of the scheme along with the results obtained for the quasiparticle band gap and the electron effective mass.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos 000313100500010 Publication Date 2012-12-12  
  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 7 Open Access  
  Notes Fwo Approved Most recent IF: 2.649; 2013 IF: 2.223  
  Call Number UA @ lucian @ c:irua:105296 Serial 2801  
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Author Latimer, M.L.; Berdiyorov, G.R.; Xiao, Z.L.; Peeters, F.M.; Kwok, W.K. url  doi
openurl 
  Title Realization of artificial ice systems for magnetic vortices in a superconducting MoGe thin film with patterned nanostructures Type A1 Journal article
  Year (up) 2013 Publication Physical review letters Abbreviated Journal Phys Rev Lett  
  Volume 111 Issue 6 Pages 067001-67005  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We report an anomalous matching effect in MoGe thin films containing pairs of circular holes arranged in such a way that four of those pairs meet at each vertex point of a square lattice. A remarkably pronounced fractional matching was observed in the magnetic field dependences of both the resistance and the critical current. At the half matching field the critical current can be even higher than that at zero field. This has never been observed before for vortices in superconductors with pinning arrays. Numerical simulations within the nonlinear Ginzburg-Landau theory reveal a square vortex ice configuration in the ground state at the half matching field and demonstrate similar characteristic features in the field dependence of the critical current, confirming the experimental realization of an artificial ice system for vortices for the first time.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication New York, N.Y. Editor  
  Language Wos 000322799200013 Publication Date 2013-08-05  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0031-9007;1079-7114; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 8.462 Times cited 63 Open Access  
  Notes ; This work was supported by the US Department of Energy DOE BES under Contract No. DE-AC02-06CH11357 (transport measurements), the Flemish Science Foundation (FWO-Vl) and the Methusalem Foundation of the Flemish Government (numerical simulations). G. R. B. acknowledges an individual grant from FWO-Vl. The nanopatterning and morphological analysis were performed at Argonne's Center for Nanoscale Materials (CNM) which is funded by DOE BES under Contract No. DE-AC02-06CH11357. We are grateful to Dr. Charles Reichhardt in Los Alamos National Laboratory for stimulating discussions and critical comments. Z. L. X. acknowledges DOE BES Grant No. DE-FG02-06ER46334 (sample fabrication and imaging). M. L. L. was a recipient of the NIU/ANL Distinguished Graduate Fellowship grant. ; Approved Most recent IF: 8.462; 2013 IF: 7.728  
  Call Number UA @ lucian @ c:irua:110750 Serial 2836  
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Author Neek-Amal, M.; Sadeghi, A.; Berdiyorov, G.R.; Peeters, F.M. doi  openurl
  Title Realization of free-standing silicene using bilayer graphene Type A1 Journal article
  Year (up) 2013 Publication Applied physics letters Abbreviated Journal Appl Phys Lett  
  Volume 103 Issue 26 Pages 261904-4  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The available synthesized silicene-like structures have been only realized on metallic substrates which are very different from the standalone buckled silicene, e. g., the Dirac cone of silicene is destroyed due to lattice distortion and the interaction with the substrate. Using graphene bilayer as a scaffold, a route is proposed to synthesize silicene with electronic properties decoupled from the substrate. The buckled hexagonal arrangement of silicene between the graphene layers is found to be very similar to the theoretically predicted standalone buckled silicene which is only very weakly van der Waals coupled to the graphene layers with a graphite-like interlayer distance of 3.42 angstrom and without any lattice distortion. We found that these stacked layers are stable well above room temperature. (C) 2013 AIP Publishing LLC.  
  Address  
  Corporate Author Thesis  
  Publisher American Institute of Physics Place of Publication New York, N.Y. Editor  
  Language Wos 000329977400022 Publication Date 2013-12-26  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0003-6951;1077-3118; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.411 Times cited 74 Open Access  
  Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem Foundation of the Flemish Government. M.N.-A. was supported by the EU-Marie Curie IIF postdoc Fellowship/299855. ; Approved Most recent IF: 3.411; 2013 IF: 3.515  
  Call Number UA @ lucian @ c:irua:114849 Serial 2837  
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Author Masir, M.R.; Peeters, F.M. doi  openurl
  Title Scattering of Dirac electrons by a random array of magnetic flux tubes Type A1 Journal article
  Year (up) 2013 Publication Journal of computational electronics Abbreviated Journal J Comput Electron  
  Volume 12 Issue 2 Pages 115-122  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The scattering of two-dimensional (2D) massless electrons as presented in graphene in the presence of a random array of circular magnetic flux tubes is investigated. The momentum relaxation time and the Hall factor are obtained using optical theorem techniques for scattering. Electrons with energy close to those of the Landau levels of the flux tubes exhibit resonant scattering and have a long life-time to reside inside the magnetic flux tube. These resonances appear as sharp structures in the Hall factor and the magneto-resistance.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication S.l. Editor  
  Language Wos 000320044900007 Publication Date 2013-02-15  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1569-8025;1572-8137; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.526 Times cited 2 Open Access  
  Notes ; This work was supported by the European Science Foundation (ESF) under the EUROCORES Program Euro-GRAPHENE within the project CONGRAN and the Flemish Science Foundation (FWO-Vl). We acknowledge fruitful discussions with A. Matulis. ; Approved Most recent IF: 1.526; 2013 IF: 1.372  
  Call Number UA @ lucian @ c:irua:109615 Serial 2950  
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Author Ghosh, P.K.; Misko, V.R.; Marchesoni, F.; Nori, F. url  doi
openurl 
  Title Self-propelled Janus particles in a ratchet : numerical simulations Type A1 Journal article
  Year (up) 2013 Publication Physical review letters Abbreviated Journal Phys Rev Lett  
  Volume 110 Issue 26 Pages 1-5  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Brownian transport of self-propelled overdamped microswimmers (like Janus particles) in a two-dimensional periodically compartmentalized channel is numerically investigated for different compartment geometries, boundary collisional dynamics, and particle rotational diffusion. The resulting time-correlated active Brownian motion is subject to rectification in the presence of spatial asymmetry. We prove that ratcheting of Janus particles can be orders of magnitude stronger than for ordinary thermal potential ratchets and thus experimentally accessible. In particular, autonomous pumping of a large mixture of passive particles can be induced by just adding a small fraction of Janus particles.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication New York, N.Y. Editor  
  Language Wos 000320956500017 Publication Date 2013-06-25  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0031-9007;1079-7114; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 8.462 Times cited 143 Open Access  
  Notes ; We thank RICC for computational resources. P. K. G. acknowledges financial support from JSPS through fellowship No. P11502. V. R. M. acknowledges support from the Odysseus Program of the Flemish Government and FWO-VI. F. M. acknowledges partial support from the European Commission, Grant No. 256959 (NanoPower). F. N. was supported in part by the ARO, RIKEN iTHES Project, JSPS-RFBR Contract No. 12-02-92100, Grant-in-Aid for Scientific Research (S), MEXT Kakenhi on Quantum Cybernetics, and the JSPS via its FIRST program. ; Approved Most recent IF: 8.462; 2013 IF: 7.728  
  Call Number UA @ lucian @ c:irua:109833 Serial 2979  
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Author Saniz, R.; Xu, Y.; Matsubara, M.; Amini, M.N.; Dixit, H.; Lamoen, D.; Partoens, B. pdf  doi
openurl 
  Title A simplified approach to the band gap correction of defect formation energies : Al, Ga, and In-doped ZnO Type A1 Journal article
  Year (up) 2013 Publication The journal of physics and chemistry of solids Abbreviated Journal J Phys Chem Solids  
  Volume 74 Issue 1 Pages 45-50  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)  
  Abstract The calculation of defect levels in semiconductors within a density functional theory approach suffers greatly from the band gap problem. We propose a band gap correction scheme that is based on the separation of energy differences in electron addition and relaxation energies. We show that it can predict defect levels with a reasonable accuracy, particularly in the case of defects with conduction band character, and yet is simple and computationally economical. We apply this method to ZnO doped with group III elements (Al, Ga, In). As expected from experiment, the results indicate that Zn substitutional doping is preferred over interstitial doping in Al, Ga, and In-doped ZnO, under both zinc-rich and oxygen-rich conditions. Further, all three dopants act as shallow donors, with the +1 charge state having the most advantageous formation energy. Also, doping effects on the electronic structure of ZnO are sufficiently mild so as to affect little the fundamental band gap and lowest conduction bands dispersion, which secures their n-type transparent conducting behavior. A comparison with the extrapolation method based on LDA+U calculations and with the HeydScuseriaErnzerhof hybrid functional (HSE) shows the reliability of the proposed scheme in predicting the thermodynamic transition levels in shallow donor systems.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication New York, N.Y. Editor  
  Language Wos 000311062500009 Publication Date 2012-08-10  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0022-3697; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.059 Times cited 36 Open Access  
  Notes Fwo; Bof-Nio Approved Most recent IF: 2.059; 2013 IF: 1.594  
  Call Number UA @ lucian @ c:irua:101782 Serial 3004  
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Author Zarenia, M.; Pereira, J.M., Jr.; Peeters, F.M.; Farias, G.A. url  doi
openurl 
  Title Snake states in graphene quantum dots in the presence of a p-n junction Type A1 Journal article
  Year (up) 2013 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 87 Issue 3 Pages 035426  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We investigate the magnetic interface states of graphene quantum dots that contain p-n junctions. Within a tight-binding approach, we consider rectangular quantum dots in the presence of a perpendicular magnetic field containing p-n as well as p-n-p and n-p-n junctions. The results show the interplay between the edge states associated with the zigzag terminations of the sample and the snake states that arise at the p-n junction due to the overlap between electron and hole states at the potential interface. Remarkable localized states are found at the crossing of the p-n junction with the zigzag edge having a dumb-bell-shaped electron distribution. The results are presented as a function of the junction parameters and the applied magnetic flux. DOI: 10.1103/PhysRevB.87.035426  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000313941000003 Publication Date 2013-01-29  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 16 Open Access  
  Notes ; This work was supported by the Flemish Science Foundation (FWO-VI), the European Science Foundation (ESF) under the EUROCORES program EuroGRAPHENE (project CONGRAN), the Brazilian agency CNPq (Pronex), and the bilateral projects between Flanders and Brazil and the collaboration project FWO-CNPq. ; Approved Most recent IF: 3.836; 2013 IF: 3.664  
  Call Number UA @ lucian @ c:irua:110087 Serial 3048  
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Author Komendová, L.; Milošević, M.V.; Peeters, F.M. url  doi
openurl 
  Title Soft vortex matter in a type-I/type-II superconducting bilayer Type A1 Journal article
  Year (up) 2013 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 88 Issue 9 Pages 094515  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Magnetic flux patterns are known to strongly differ in the intermediate state of type-I and type-II superconductors. Using a type-I/type-II bilayer we demonstrate hybridization of these flux phases into a plethora of unique new ones. Owing to a complicated multibody interaction between individual fluxoids, many different intriguing patterns are possible under applied magnetic field, such as few-vortex clusters, vortex chains, mazes, or labyrinthal structures resembling the phenomena readily encountered in soft-matter physics. However, in our system the patterns are tunable by sample parameters, magnetic field, current, and temperature, which reveals transitions from short-range clustering to long-range ordered phases such as parallel chains, gels, glasses, and crystalline vortex lattices, or phases where lamellar type-I flux domains in one layer serve as a bedding potential for type-II vortices in the other, configurations clearly beyond the soft-matter analogy.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000324689900008 Publication Date 2013-09-24  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 27 Open Access  
  Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl). Insightful discussions with Arkady Shanenko and Edith Cristina Euan Diaz are gratefully acknowledged. ; Approved Most recent IF: 3.836; 2013 IF: 3.664  
  Call Number UA @ lucian @ c:irua:111167 Serial 3050  
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Author Villegas, C.E.P.; Tavares, M.R.S.; Hai, G.-Q.; Peeters, F.M. url  doi
openurl 
  Title Sorting the modes contributing to guidance in strain-induced graphene waveguides Type A1 Journal article
  Year (up) 2013 Publication New journal of physics Abbreviated Journal New J Phys  
  Volume 15 Issue Pages 023015-11  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We propose a simple way of probing the number of modes contributing to the channeling in graphene waveguides which are formed by a gauge potential produced by mechanical strain. The energy mode structure for both homogeneous and non-homogeneous strain regimes is carefully studied using the continuum description of the Dirac equation. We found that high strain values privilege negative (instead of positive) group velocities throughout the guidance, sorting the types of modes flowing through it. We also show how the effect of a substrate-induced gap competes against the strain.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Bristol Editor  
  Language Wos 000314868000002 Publication Date 2013-02-08  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1367-2630; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.786 Times cited 7 Open Access  
  Notes ; This work was supported by FAPESP, CNPq and the Flemish Science Foundation (FWO-VI). ; Approved Most recent IF: 3.786; 2013 IF: 3.671  
  Call Number UA @ lucian @ c:irua:107667 Serial 3056  
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Author Milovanović, S.P.; Masir, M.R.; Peeters, F.M. pdf  doi
openurl 
  Title Spectroscopy of snake states using a graphene Hall bar Type A1 Journal article
  Year (up) 2013 Publication Applied physics letters Abbreviated Journal Appl Phys Lett  
  Volume 103 Issue 23 Pages 233502-233504  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract An approach to observe snake states in a graphene Hall bar containing a pn-junction is proposed. The magnetic field dependence of the bend resistance in a ballistic graphene Hall bar structure containing a tilted pn-junction oscillates as a function of applied magnetic field. We show that each oscillation is due to a specific snake state that moves along the pn-interface. Furthermore, depending on the value of the magnetic field and applied potential, we can control the lead in which the electrons will end up and hence control the response of the system.  
  Address  
  Corporate Author Thesis  
  Publisher American Institute of Physics Place of Publication New York, N.Y. Editor  
  Language Wos 000328634900090 Publication Date 2013-12-03  
  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 15 Open Access  
  Notes This work was supported by the Flemish Science Foundation (FWO-Vl), the European Science Foundation (ESF) under the EUROCORES Program EuroGRAPHENE within the project CONGRAN and the Methusalem Foundation of the Flemish government. Approved Most recent IF: 3.411; 2013 IF: 3.515  
  Call Number UA @ lucian @ c:irua:113710 Serial 3074  
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Author Van Boxem, R.; Verbeeck, J.; Partoens, B. pdf  url
doi  openurl
  Title Spin effects in electron vortex states Type A1 Journal article
  Year (up) 2013 Publication Europhysics letters Abbreviated Journal Epl-Europhys Lett  
  Volume 102 Issue 4 Pages 40010-40016  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)  
  Abstract The recent experimental realization of electron vortex beams opens up a wide research domain previously unexplored. The present paper explores the relativistic properties of these electron vortex beams, and quantifies deviations from the scalar wave theory. It is common in electron optics to use the Schrodinger equation neglecting spin. The present paper investigates the role of spin and the total angular momentum J(z) and how it pertains to the vortex states. As an application, we also investigate if it is possible to use holographic reconstruction to create novel total angular momentum eigenstates in a transmission electron microscope. It is demonstrated that relativistic spin coupling effects disappear in the paraxial limit, and spin effects in holographically created electron vortex beams can only be exploited by using specialized magnetic apertures.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Paris Editor  
  Language Wos 000321118600011 Publication Date 2013-06-11  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0295-5075;1286-4854; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.957 Times cited 11 Open Access  
  Notes 312483 Esteem2; N246791 Countatoms; 278510 Vortex; esteem2jra1; esteem2jra3 ECASJO_; Approved Most recent IF: 1.957; 2013 IF: 2.269  
  Call Number UA @ lucian @ c:irua:109852 Serial 3087  
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Author Badalyan, S.M.; Matos-Abiague, A.; Fabian, J.; Vignale, G.; Peeters, F.M. url  doi
openurl 
  Title Spin-orbit-interaction induced singularity of the charge density relaxation propagator Type A1 Journal article
  Year (up) 2013 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 88 Issue 19 Pages 195402-195405  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The charge density relaxation propagator of a two-dimensional electron system, which is the slope of the imaginary part of the polarization function, exhibits singularities for bosonic momenta having the order of the spin-orbit momentum and depending on the momentum orientation. We have provided an intuitive understanding for this nonanalytic behavior in terms of the interchirality subband electronic transitions, induced by the combined action of Bychkov-Rashba (BR) and Dresselhaus (D) spin-orbit coupling. It is shown that the regular behavior of the relaxation propagator is recovered in the presence of only one BR or D spin-orbit field or for spin-orbit interaction with equal BR and D coupling strengths. This creates a new possibility to influence carrier relaxation properties by means of an applied electric field.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000326820200005 Publication Date 2013-11-07  
  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 2 Open Access  
  Notes ; We acknowledge support from the Methusalem program of the Flemish government and the Flemish Science Foundation (FWO-Vl), DFG SFB Grant 689, and NSF Grant DMR-1104788 (G.V.). ; Approved Most recent IF: 3.836; 2013 IF: 3.664  
  Call Number UA @ lucian @ c:irua:112711 Serial 3093  
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Author Neek-Amal, M.; Beheshtian, J.; Shayeganfar, F.; Singh, S.K.; Los, J.H.; Peeters, F.M. url  doi
openurl 
  Title Spiral graphone and one-sided fluorographene nanoribbons Type A1 Journal article
  Year (up) 2013 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 87 Issue 7 Pages 075448-8  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The instability of a free-standing one-sided hydrogenated/fluorinated graphene nanoribbon, i.e., graphone/fluorographene, is studied using ab initio, semiempirical, and large-scale molecular dynamics simulations. Free-standing semi-infinite armchairlike hydrogenated/fluorinated graphene (AC-GH/AC-GF) and boatlike hydrogenated/fluorinated graphene (B-GH/B-GF) (nanoribbons which are periodic along the zigzag direction) are unstable and spontaneously transform into spiral structures. We find that rolled, spiral B-GH and B-GF are energetically more favorable than spiral AC-GH and AC-GF which is opposite to the double-sided flat hydrogenated/fluorinated graphene, i.e., graphane/fluorographene. We found that the packed, spiral structures exhibit an unexpected localized highest occupied molecular orbital and lowest occupied molecular orbital at the edges with increasing energy gap during rolling. These rolled hydrocarbon structures are stable beyond room temperature up to at least T = 1000 K within our simulation time of 1 ns. DOI: 10.1103/PhysRevB.87.075448  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000315481800005 Publication Date 2013-02-27  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 14 Open Access  
  Notes ; We thank A. Sadeghi, M. R. Ejtehadi, and J. Amini for their useful comments. This work is supported by the ESF EuroGRAPHENE project CONGRAN and the Flemish Science Foundation (FWO-Vl). M.N.-A. is supported by a EU-Marie Curie IIF fellowship program Grant No. 299855. ; Approved Most recent IF: 3.836; 2013 IF: 3.664  
  Call Number UA @ lucian @ c:irua:107654 Serial 3106  
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Author Schoeters, B.; Neyts, E.C.; Khalilov, U.; Pourtois, G.; Partoens, B. url  doi
openurl 
  Title Stability of Si epoxide defects in Si nanowires : a mixed reactive force field/DFT study Type A1 Journal article
  Year (up) 2013 Publication Physical chemistry, chemical physics Abbreviated Journal Phys Chem Chem Phys  
  Volume 15 Issue 36 Pages 15091-15097  
  Keywords A1 Journal article; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Modeling the oxidation process of silicon nanowires through reactive force field based molecular dynamics simulations suggests that the formation of Si epoxide defects occurs both at the Si/SiOx interface and at the nanowire surface, whereas for flat surfaces, this defect is experimentally observed to occur only at the interface as a result of stress. In this paper, we argue that the increasing curvature stabilizes the defect at the nanowire surface, as suggested by our density functional theory calculations. The latter can have important consequences for the opto-electronic properties of thin silicon nanowires, since the epoxide induces an electronic state within the band gap. Removing the epoxide defect by hydrogenation is expected to be possible but becomes increasingly difficult with a reduction of the diameter of the nanowires.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Cambridge Editor  
  Language Wos 000323520600029 Publication Date 2013-07-16  
  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 3 Open Access  
  Notes ; BS gratefully acknowledges financial support of the IWT, Institute for the Promotion of Innovation by Science and Technology in Flanders, via the SBO project “SilaSol”. This work was carried out using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen, a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish government and the Universiteit Antwerpen. ; Approved Most recent IF: 4.123; 2013 IF: 4.198  
  Call Number UA @ lucian @ c:irua:110793 Serial 3130  
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Author Sahin, H.; Sivek, J.; Li, S.; Partoens, B.; Peeters, F.M. url  doi
openurl 
  Title Stone-Wales defects in silicene : formation, stability, and reactivity of defect sites Type A1 Journal article
  Year (up) 2013 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 88 Issue 4 Pages 045434-45436  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract During the synthesis of ultrathin materials with hexagonal lattice structure Stone-Wales (SW) type of defects are quite likely to be formed and the existence of such topological defects in the graphenelike structures results in dramatic changes of their electronic and mechanical properties. Here we investigate the formation and reactivity of such SW defects in silicene. We report the energy barrier for the formation of SW defects in freestanding (similar to 2.4 eV) and Ag(111)-supported (similar to 2.8 eV) silicene and found it to be significantly lower than in graphene (similar to 9.2 eV). Moreover, the buckled nature of silicene provides a large energy barrier for the healing of the SW defect and therefore defective silicene is stable even at high temperatures. Silicene with SW defects is semiconducting with a direct band gap of 0.02 eV and this value depends on the concentration of defects. Furthermore, nitrogen substitution in SW-defected silicene shows that the defect lattice sites are the least preferable substitution locations for the N atoms. Our findings show the easy formation of SW defects in silicene and also provide a guideline for band gap engineering in silicene-based materials through such defects.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000322113300007 Publication Date 2013-07-23  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 93 Open Access  
  Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem foundation of the Flemish government. Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure), and HPC infrastructure of the University of Antwerp (CalcUA) a division of the Flemish Supercomputer Center (VSC), which is funded by the Hercules foundation. H.S. is supported by a FWO Pegasus Marie Curie Fellowship. ; Approved Most recent IF: 3.836; 2013 IF: 3.664  
  Call Number UA @ lucian @ c:irua:109805 Serial 3162  
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Author Arsoski, V.V.; Tadić, M.Z.; Peeters, F.M. url  doi
openurl 
  Title Strain and band-mixing effects on the excitonic Aharonov-Bohm effect in In(Ga)As/GaAs ringlike quantum dots Type A1 Journal article
  Year (up) 2013 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 87 Issue 8 Pages 085314-14  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Neutral excitons in strained axially symmetric In(Ga)As/GaAs quantum dots with a ringlike shape are investigated. Similar to experimental self-assembled quantum rings, the analyzed quantum dots have volcano-like shapes. The continuum mechanical model is employed to determine the strain distribution, and the single-band envelope function approach is adopted to compute the electron states. The hole states are determined by the axially symmetric multiband Luttinger-Kohn Hamiltonian, and the exciton states are obtained from an exact diagonalization. We found that the presence of the inner layer covering the ring opening enhances the excitonic Aharonov-Bohm (AB) oscillations. The reason is that the hole becomes mainly localized in the inner part of the quantum dot due to strain, whereas the electron resides mainly inside the ring-shaped rim. Interestingly, larger AB oscillations are found in the analyzed quantum dot than in a fully opened quantum ring of the same width. Comparison with the unstrained ringlike quantum dot shows that the amplitude of the excitonic Aharonov-Bohm oscillations are almost doubled in the presence of strain. The computed oscillations of the exciton energy levels are comparable in magnitude to the oscillations measured in recent experiments. DOI: 10.1103/PhysRevB.87.085314  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000315278000003 Publication Date 2013-02-25  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 18 Open Access  
  Notes ; This work was supported by the EU NoE: SANDiE, the Ministry of Education, Science, and Technological Development of Serbia, and the Flemish Science Foundation (FWO-Vl). ; Approved Most recent IF: 3.836; 2013 IF: 3.664  
  Call Number UA @ lucian @ c:irua:107656 Serial 3165  
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Author Berdiyorov, G.R.; Savel'ev, S.E.; Milošević, M.V.; Kusmartsev, F.V.; Peeters, F.M. url  doi
openurl 
  Title Synchronized dynamics of Josephson vortices in artificial stacks of SNS Josephson junctions under both dc and ac bias currents Type A1 Journal article
  Year (up) 2013 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 87 Issue 18 Pages 184510-184519  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Nonlinear dynamics of Josephson vortices (fluxons) in artificial stacks of superconducting-normal-superconducting Josephson junctions under simultaneously applied time-periodic ac and constant biasing dc currents is studied using the time dependent Ginzburg-Landau formalism with a Lawrence-Doniach extension. At zero external magnetic field and dc biasing current the resistive state of the system is characterized by periodic nucleation and annihilation of fluxon-antifluxon pairs, relative positions of which are determined by the state of neighboring junctions. Due to the mutual repulsive interaction, fluxons in different junctions move out of phase. Their collective motion can be synchronized by adding a small ac component to the biasing dc current. Coherent motion of fluxons is observed for a broad frequency range of the applied drive. In the coherent state the maximal output voltage, which is proportional to the number of junctions in the stack, is observed near the characteristic frequency of the system determined by the crossing of the fluxons across the sample. However, in this frequency range the dynamically synchronized state has an alternative-a less ordered state with smaller amplitude of the output voltage. Collective behavior of the junctions is strongly affected by the sloped sidewalls of the stack. Synchronization is observed only for weakly trapezoidal cross sections, whereas irregular motion of fluxons is observed for larger slopes of the sample edge.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000319653400007 Publication Date 2013-05-28  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 10 Open Access  
  Notes ; This work was supported by the Flemish Science Foundation (FWO-VI) and by EU Marie Curie (Project No. 253057). ; Approved Most recent IF: 3.836; 2013 IF: 3.664  
  Call Number UA @ lucian @ c:irua:109643 Serial 3406  
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Author Tyutyunnik, A.P.; Slobodin, B.V.; Samigullina, R.F.; Verberck, B.; Tarakina, N.V. doi  openurl
  Title K2CaV2O7 : a pyrovanadate with a new layered type of structure in the A2BV2O7 family Type A1 Journal article
  Year (up) 2013 Publication Journal of the Chemical Society : Dalton transactions Abbreviated Journal Dalton T  
  Volume 42 Issue 4 Pages 1057-1064  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The crystal structure of K2CaV2O7 prepared by a conventional solid-state reaction has been solved by a direct method and refined using Rietveld full profile fitting based on X-ray powder diffraction data. This compound crystallises in the triclinic space group (P (1) over bar, Z = 2) with unit cell constants a = 7.1577(1) angstrom, b = 10.5104(2) angstrom, c = 5.8187(1) angstrom, alpha = 106.3368(9)degrees, beta = 106.235(1)degrees, gamma = 71.1375(9)degrees. The structure can be described as infinite undulating CaV2O72- layers parallel to the ac plane, which consist of pairs of edge-sharing CaO6 octahedra connected to each other through V2O7 pyrogroups. The potassium atoms are positioned in two sites between the layers, with a distorted IX-fold coordination of oxygen atoms. The chemical composition obtained from the structural solution was confirmed by energy-dispersive X-ray analysis. The stability of compounds in the family of alkali metal calcium pyrovanadates is discussed based on an analysis of the correlation between anion and cation sizes and theoretical first-principles calculations.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos 000312659200030 Publication Date 2012-10-04  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1477-9226;1477-9234; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.029 Times cited 3 Open Access  
  Notes ; N.V.T. acknowledges funding by the Bavarian Ministry of Sciences, Research and the Arts. B. V. was financially supported by the Flemish Science Foundation (FWO-Vlaanderen). ; Approved Most recent IF: 4.029; 2013 IF: 4.097  
  Call Number UA @ lucian @ c:irua:105945 Serial 3536  
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Author Singh, S.K.; Srinivasan, S.G.; Neek-Amal, M.; Costamagna, S.; van Duin, A.C.T.; Peeters, F.M. url  doi
openurl 
  Title Thermal properties of fluorinated graphene Type A1 Journal article
  Year (up) 2013 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 87 Issue 10 Pages 104114-104116  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Large-scale atomistic simulations using the reactive force field approach are implemented to investigate the thermomechanical properties of fluorinated graphene (FG). A set of parameters for the reactive force field potential optimized to reproduce key quantum mechanical properties of relevant carbon-fluorine cluster systems are presented. Molecular dynamics simulations are used to investigate the thermal rippling behavior of FG and its mechanical properties and compare them with graphene, graphane and a sheet of boron nitride. The mean square value of the height fluctuations < h(2)> and the height-height correlation function H(q) for different system sizes and temperatures show that FG is an unrippled system in contrast to the thermal rippling behavior of graphene. The effective Young's modulus of a flake of fluorinated graphene is obtained to be 273 N/m and 250 N/m for a flake of FG under uniaxial strain along armchair and zigzag directions, respectively. DOI: 10.1103/PhysRevB.87.104114  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000316933500002 Publication Date 2013-03-29  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 80 Open Access  
  Notes ; M.N.-A. is supported by the EU-Marie Curie IIF postdoc Fellowship/299855. This work is supported by the ESF-Eurographene project CONGRAN, the Flemish Science Foundation (FWO-Vl), and the Methusalem Foundation of the Flemish Government. S. G. S. and A.C.T.vD. acknowledge support by the Air Force Office of Scientific Research (AFOSR) under Grant No. FA9550-10-1-0563. ; Approved Most recent IF: 3.836; 2013 IF: 3.664  
  Call Number UA @ lucian @ c:irua:108495 Serial 3629  
Permanent link to this record
 

 
Author Van Duppen, B.; Peeters, F.M. url  doi
openurl 
  Title Thermodynamic properties of the electron gas in multilayer graphene in the presence of a perpendicular magnetic field Type A1 Journal article
  Year (up) 2013 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 88 Issue 24 Pages 245429-7  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The thermodynamic properties of the electron gas in multilayer graphene depend strongly on the number of layers and the type of stacking. Here we analyze how those properties change when we vary the number of layers for rhombohedral stacked multilayer graphene and compare our results with those from a conventional two-dimensional electron gas. We show that the highly degenerate zero-energy Landau level which is partly filled with electrons and partly with holes has a strong influence on the values of the different thermodynamic quantities.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000328686900006 Publication Date 2014-01-09  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 2 Open Access  
  Notes ; The authors would like to thank C. De Beule for enlightening discussions. This work was supported by the European Science Foundation (ESF) under the EUROCORES Program Euro-GRAPHENE within the project CONGRAN, the Flemish Science Foundation (FWO-Vl) by an aspirant research grant to B.V.D., and the Methusalem Program of the Flemish Government. ; Approved Most recent IF: 3.836; 2013 IF: 3.664  
  Call Number UA @ lucian @ c:irua:113700 Serial 3635  
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Author Singh, S.K.; Neek-Amal, M.; Costamagna, S.; Peeters, F.M. url  doi
openurl 
  Title Thermomechanical properties of a single hexagonal boron nitride sheet Type A1 Journal article
  Year (up) 2013 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 87 Issue 18 Pages 184106-184107  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Using atomistic simulations we investigate the thermodynamical properties of a single atomic layer of hexagonal boron nitride (h-BN). The thermal induced ripples, heat capacity, and thermal lattice expansion of large scale h-BN sheets are determined and compared to those found for graphene (GE) for temperatures up to 1000 K. By analyzing the mean-square height fluctuations < h(2)> and the height-height correlation function H(q) we found that the h-BN sheet is a less stiff material as compared to graphene. The bending rigidity of h-BN (i) is about 16% smaller than the one of GE at room temperature (300 K), and (ii) increases with temperature as in GE. The difference in stiffness between h-BN and GE results in unequal responses to external uniaxial and shear stress and different buckling transitions. In contrast to a GE sheet, the buckling transition of a h-BN sheet depends strongly on the direction of the applied compression. The molar heat capacity, thermal-expansion coefficient, and Gruneisen parameter are estimated to be 25.2 J mol(-1) K-1, 7.2 x 10(-6) K-1, and 0.89, respectively.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000318653800001 Publication Date 2013-05-08  
  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 80 Open Access  
  Notes ; We thank K. H. Michel and D. A. Kirilenko for their useful comments on the manuscript. M. N.-A. was supported by EU-Marie Curie IIF Postdoctorate Fellowship No. 299855. S. Costamagna was supported by the Belgian Science Foundation (BELSPO). This work was supported by the ESF-EuroGRAPHENE project CONGRAN, the Flemish Science Foundation (FWO-Vl), and the Methusalem program of the Flemish Government. ; Approved Most recent IF: 3.836; 2013 IF: 3.664  
  Call Number UA @ lucian @ c:irua:109010 Serial 3638  
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Author Muñoz, W.A.; Covaci, L.; Peeters, F.M. url  doi
openurl 
  Title Tight-binding description of intrinsic superconducting correlations in multilayer graphene Type A1 Journal article
  Year (up) 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 Pathangi, H.; Cherman, V.; Khaled, A.; Sorée, B.; Groeseneken, G.; Witvrouw, A. doi  openurl
  Title Towards CMOS-compatible single-walled carbon nanotube resonators Type A1 Journal article
  Year (up) 2013 Publication Microelectronic engineering Abbreviated Journal Microelectron Eng  
  Volume 107 Issue Pages 219-222  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract We report a totally CMOS-compatible fabrication technique to assemble horizontally suspended single-walled carbon nanotube (SWCNT) resonators. Individual SWCNTs are assembled in parallel at multiple sites by a technique called dielectrophoresis. The mechanical resonance frequencies of the suspended SWCNTs are in the range of 2035 MHz as determined from the piezoresistive response of the resonators during electrostatic actuation. The resistance of the suspended SWCNT either remains unchanged or increases or decreases significantly as a function of the actuation frequency. This can be explained by the effect the nanotube chirality has on the piezoresistive gauge factor.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos 000319855800040 Publication Date 2012-07-02  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0167-9317; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.806 Times cited 6 Open Access  
  Notes ; ; Approved Most recent IF: 1.806; 2013 IF: 1.338  
  Call Number UA @ lucian @ c:irua:109260 Serial 3685  
Permanent link to this record
 

 
Author Lucena, D.; Ferreira, W.P.; Munarin, F.F.; Farias, G.A.; Peeters, F.M. url  doi
openurl 
  Title Tunable diffusion of magnetic particles in a quasi-one-dimensional channel Type A1 Journal article
  Year (up) 2013 Publication Physical review : E : statistical, nonlinear, and soft matter physics Abbreviated Journal Phys Rev E  
  Volume 87 Issue 1 Pages 012307-12309  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The diffusion of a system of ferromagnetic dipoles confined in a quasi-one-dimensional parabolic trap is studied using Brownian dynamics simulations. We show that the dynamics of the system is tunable by an in-plane external homogeneous magnetic field. For a strong applied magnetic field, we find that the mobility of the system, the exponent of diffusion, and the crossover time among different diffusion regimes can be tuned by the orientation of the magnetic field. For weak magnetic fields, the exponent of diffusion in the subdiffusive regime is independent of the orientation of the external field. DOI: 10.1103/PhysRevE.87.012307  
  Address  
  Corporate Author Thesis  
  Publisher American Institute of Physics Place of Publication Woodbury (NY) Editor  
  Language Wos 000314152300005 Publication Date 2013-01-15  
  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 ; This work was supported by CNPq, CAPES, FUNCAP (Pronex grant), the Flemish Science Foundation (FWO-Vl), the bilateral program between Flanders and Brazil, the collaborative program CNPq – FWO-Vl, and the Brazilian program Science Without Borders (CsF). Discussions with V. R. Misko are gratefully acknowledged. ; Approved Most recent IF: 2.366; 2013 IF: 2.326  
  Call Number UA @ lucian @ c:irua:110089 Serial 3739  
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Author Leenaerts, O.; Partoens, B.; Peeters, F.M. doi  openurl
  Title Tunable double Dirac cone spectrum in bilayer \alpha-graphyne Type A1 Journal article
  Year (up) 2013 Publication Applied physics letters Abbreviated Journal Appl Phys Lett  
  Volume 103 Issue 1 Pages 013105-4  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Monolayer alpha-graphyne was recently proposed as a new all-carbon material having an electronic spectrum consisting of Dirac cones. Based on a first-principles investigation of bilayer alpha-graphyne, we show that the electronic band structure is qualitatively different from its monolayer form and depends crucially on the stacking mode of the two layers. Two stable stacking modes are found: a configuration with a gapless parabolic band structure, similar to AB stacked bilayer graphene, and another one which exhibits a doubled Dirac-cone spectrum. The latter can be tuned by an electric field with a gap opening rate of 0.3 eA. (C) 2013 AIP Publishing LLC.  
  Address  
  Corporate Author Thesis  
  Publisher American Institute of Physics Place of Publication New York, N.Y. Editor  
  Language Wos 000321497200032 Publication Date 2013-07-01  
  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 58 Open Access  
  Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl), the NOI-BOF of the University of Antwerp, and the ESF EuroGRAPHENE project CONGRAN. ; Approved Most recent IF: 3.411; 2013 IF: 3.515  
  Call Number UA @ lucian @ c:irua:109821 Serial 3740  
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Author Govaerts, K.; Saniz, R.; Partoens, B.; Lamoen, D. url  doi
openurl 
  Title van der Waals bonding and the quasiparticle band structure of SnO from first principles Type A1 Journal article
  Year (up) 2013 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 87 Issue 23 Pages 235210-235217  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)  
  Abstract In this work we have investigated the structural and electronic properties of SnO, which is built up from layers kept together by van der Waals (vdW) forces. The combination of a vdW functional within density functional theory (DFT) and quasiparticle band structure calculations within the GW approximation provides accurate values for the lattice parameters, atomic positions, and the electronic band structure including the fundamental (indirect) and the optical (direct) band gap without the need of experimental or empirical input. A systematic comparison is made between different levels of self-consistency within the GW approach {following the scheme of Shishkin et al. [Phys. Rev. B 75, 235102 (2007)]} and the results are compared with DFT and hybrid functional results. Furthermore, the effect of the vdW-corrected functional as a starting point for the GW calculation of the band gap has been investigated. Finally, we studied the effect of the vdW functional on the electron charge density.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000321061000003 Publication Date 2013-07-01  
  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 IWT; FWO; Hercules Approved Most recent IF: 3.836; 2013 IF: 3.664  
  Call Number UA @ lucian @ c:irua:109596 Serial 3835  
Permanent link to this record
 

 
Author Zhang, L.-F.; Covaci, L.; Milošević, M.V.; Berdiyorov, G.R.; Peeters, F.M. url  doi
openurl 
  Title Vortex states in nanoscale superconducting squares : the influence of quantum confinement Type A1 Journal article
  Year (up) 2013 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 88 Issue 14 Pages 144501  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Bogoliubov-de Gennes theory is used to investigate the effect of the size of a superconducting square on the vortex states in the quantum confinement regime. When the superconducting coherence length is comparable to the Fermi wavelength, the shape resonances of the superconducting order parameter have strong influence on the vortex configuration. Several unconventional vortex states, including asymmetric ones, giant-multivortex combinations, and states comprising giant antivortices, were found as ground states and their stability was found to be very sensitive on the value of k(F)xi(0), the size of the sample W, and the magnetic flux Phi. By increasing the temperature and/or enlarging the size of the sample, quantum confinement is suppressed and the conventional mesoscopic vortex states as predicted by the Ginzburg-Laudau (GL) theory are recovered. However, contrary to the GL results we found that the states containing symmetry-induced vortex-antivortex pairs are stable over the whole temperature range. It turns out that the inhomogeneous order parameter induced by quantum confinement favors vortex-antivortex molecules, as well as giant vortices with a rich structure in the vortex core-unattainable in the GL domain.  
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  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000325498300004 Publication Date 2013-10-09  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 19 Open Access  
  Notes ; This work was supported by the Flemish Science Foundation (FWO-Vlaanderen) and Methusalem Funding of the Flemish government. ; Approved Most recent IF: 3.836; 2013 IF: 3.664  
  Call Number UA @ lucian @ c:irua:111145 Serial 3891  
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