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Author Euan-Diaz, E.; Herrera-Velarde, S.; Misko, V.R.; Peeters, F.M.; Castaneda-Priego, R. doi  openurl
  Title Structural transitions and long-time self-diffusion of interacting colloids confined by a parabolic potential Type A1 Journal article
  Year (down) 2015 Publication The journal of chemical physics Abbreviated Journal J Chem Phys  
  Volume 142 Issue 142 Pages 024902  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We report on the ordering and dynamics of interacting colloidal particles confined by a parabolic potential. By means of Brownian dynamics simulations, we find that by varying the magnitude of the trap stiffness, it is possible to control the dimension of the system and, thus, explore both the structural transitions and the long-time self-diffusion coefficient as a function of the degree of confinement. We particularly study the structural ordering in the directions perpendicular and parallel to the confinement. Further analysis of the local distribution of the first-neighbors layer allows us to identify the different structural phases induced by the parabolic potential. These results are summarized in a structural state diagram that describes the way in which the colloidal suspension undergoes a structural re-ordering while increasing the confinement. To fully understand the particle dynamics, we take into account hydrodynamic interactions between colloids; the parabolic potential constricts the available space for the colloids, but it does not act on the solvent. Our findings show a non-linear behavior of the long-time self-diffusion coefficient that is associated to the structural transitions induced by the external field. (C) 2015 AIP Publishing LLC.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication New York, N.Y. Editor  
  Language Wos 000348129700053 Publication Date 2015-01-10  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0021-9606;1089-7690; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.965 Times cited 7 Open Access  
  Notes ; This work was partially supported by the “Odysseus” Program of the Flemish Government, the Flemish Science Foundation (FWO-Vl), PIFI 3.4 – PROMEP, and CONACyT (Grant Nos. 61418/2007, 102339/2008, Ph.D. scholarship 230171/2010). R.C.-P. also acknowledges financial support provided by the Marcos Moshinsky fellowship 2013-2014. The authors also thank to the General Coordination of Information and Communications Technologies (CGSTIC) at Cinvestav for providing HPC resources on the Hybrid Cluster Super-computer Xiuhcoatl, which have contributed partially to the research results reported in this paper. ; Approved Most recent IF: 2.965; 2015 IF: 2.952  
  Call Number c:irua:123832 Serial 3267  
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Author Sadeghi, A.; Neek-Amal, M.; Berdiyorov, G.R.; Peeters, F.M. url  doi
openurl 
  Title Diffusion of fluorine on and between graphene layers Type A1 Journal article
  Year (down) 2015 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 91 Issue 91 Pages 014304  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Using first-principles calculations and reactive force field molecular dynamics simulations, we study the structural properties and dynamics of a fluorine (F) atom, either adsorbed on the surface of single layer graphene (F/GE) or between the layers of AB stacked bilayer graphene (F@ bilayer graphene). It is found that the diffusion of the F atom is very different in those cases, and that the mobility of the F atom increases by about an order of magnitude when inserted between two graphene layers. The obtained diffusion constant for F/GE is twice larger than that experimentally found for gold adatom and theoretically found for C-60 molecule on graphene. Our study provides important physical insights into the dynamics of fluorine atoms between and on graphene layers and explains the mechanism behind the separation of graphite layers due to intercalation of F atoms.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Lancaster, Pa Editor  
  Language Wos 000349125800002 Publication Date 2015-01-08  
  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 15 Open Access  
  Notes ; This work was supported by the Flemish Science Foundation (FWO-VI) and the Methusalem Foundation of the Flemish Government. ; Approved Most recent IF: 3.836; 2015 IF: 3.736  
  Call Number UA @ lucian @ c:irua:132561 Serial 4161  
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Author Singh, S.K.; Neek-Amal, M.; Costamagna, S.; Peeters, F.M. url  doi
openurl 
  Title Rippling, buckling, and melting of single- and multilayer MoS2 Type A1 Journal article
  Year (down) 2015 Publication Physical Review B Abbreviated Journal Phys Rev B  
  Volume 91 Issue 91 Pages 014101  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Large-scale atomistic simulations using the reactive empirical bond order force field approach is implemented to investigate thermal and mechanical properties of single-layer (SL) and multilayer (ML) molybdenum disulfide (MoS2). The amplitude of the intrinsic ripples of SL MoS2 are found to be smaller than those exhibited by graphene (GE). Furthermore, because of the van der Waals interaction between layers, the out-of-plane thermal fluctuations of ML MoS2 decreases rapidly with increasing number of layers. This trend is confirmed by the buckling transition due to uniaxial stress which occurs for a significantly larger applied tension as compared to graphene. For SL MoS2, the melting temperature is estimated to be 3700 K which occurs through dimerization followed by the formation of small molecules consisting of two to five atoms. When different types of vacancies are inserted in the SL MoS2 it results in a decrease of both the melting temperature as well as the stiffness.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Lancaster, Pa Editor  
  Language Wos 000347921300001 Publication Date 2015-01-05  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 40 Open Access  
  Notes ; This work is supported by the ESF-Eurographene project CONGRAN, the Flemish Science Foundation (FWO-VI), and the Methusalem Foundation of the Flemish Government. We acknowledge funding from the FWO (Belgium)-MINCyT (Argentina) collaborative research project. We would like to thanks Prof. Douglas E. Spearot [26] for giving us the implemented parameters of Mo-S in LAMMPS. ; Approved Most recent IF: 3.836; 2015 IF: 3.736  
  Call Number c:irua:123834 Serial 2909  
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Author Berdiyorov, G.; Harrabi, K.; Maneval, J.P.; Peeters, F.M. url  doi
openurl 
  Title Effect of pinning on the response of superconducting strips to an external pulsed current Type A1 Journal article
  Year (down) 2015 Publication Superconductor science and technology Abbreviated Journal Supercond Sci Tech  
  Volume 28 Issue 28 Pages 025004  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Using the anisotropic time-dependent Ginzburg-Landau theory we study the effect of ordered and disordered pinning on the time response of superconducting strips to an external current that switched on abruptly. The pinning centers result in a considerable delay of the response time of the system to such abrupt switching on of the current, whereas the output voltage is always larger when pinning is present. The resistive state in both cases are characterized either by dynamically stable phase-slip centers/lines or expanding in-time hot-spots, which are the main mechanisms for dissipation in current-carrying superconductors. We find that hot-spots are always initiated by the phase-slip state. However, the range of the applied current for the phase-slip state increases significantly when pinning is introduced. Qualitative changes are observed in the dynamics of the superconducting condensate in the presence of pinning.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Bristol Editor  
  Language Wos 000351046300010 Publication Date 2014-12-31  
  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 19 Open Access  
  Notes ; This work was supported by EU Marie Curie (Project No: 253057), the Flemish Science Foundation (FWO-Vl) and King Fahd University of Petroleum and Minerals, Saudi Arabia, under the IN131034 DSR project. ; Approved Most recent IF: 2.878; 2015 IF: 2.325  
  Call Number c:irua:125491 Serial 829  
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Author Galvan Moya, J.E.; Nelissen, K.; Peeters, F.M. pdf  doi
openurl 
  Title Structural ordering of self-assembled clusters with competing interactions : transition from faceted to spherical clusters Type A1 Journal article
  Year (down) 2015 Publication Langmuir: the ACS journal of surfaces and colloids Abbreviated Journal Langmuir  
  Volume 31 Issue 31 Pages 917-924  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The self-assembly of nanoparticles into clusters and the effect of the different parameters of the competing interaction potential on it are investigated. For a small number of particles, the structural organization of the clusters is almost unaffected by the attractive part of the potential, and for an intermediate number of particles the configuration strongly depends on the strength of it. The cluster size is controlled by the range of the interaction potential, and the structural arrangement is guided by the strength of the potential: i.e., the self-assembled cluster transforms from a faceted configuration at low strength to a spherical shell-like structure at high strength. Nonmonotonic behavior of the cluster size is found by increasing the interaction range. An approximate analytical expression is obtained that predicts the smallest cluster for a specific set of potential parameters. A Mendeleev-like table is constructed for different values of the strength and range of the attractive part of the potential in order to understand the structural ordering of the ground-state configuration of the self-assembled clusters.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Washington, D.C. Editor  
  Language Wos 000348689700005 Publication Date 2014-12-30  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0743-7463;1520-5827; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.833 Times cited 4 Open Access  
  Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem programme of the Flemish government. Computational resources were provided by the HPC infrastructure of the University of Antwerp (CalcUA), a division of the Flemish Supercomputer Center (VSC). ; Approved Most recent IF: 3.833; 2015 IF: 4.457  
  Call Number c:irua:125292 Serial 3243  
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Author Lukyanchuk, I.; Vinokur, V.M.; Rydh, A.; Xie, R.; Milošević, M.V.; Welp, U.; Zach, M.; Xiao, Z.L.; Crabtree, G.W.; Bending, S.J.; Peeters, F.M.; Kwok, W.K. doi  openurl
  Title Rayleigh instability of confined vortex droplets in critical superconductors Type A1 Journal article
  Year (down) 2015 Publication Nature physics Abbreviated Journal Nat Phys  
  Volume 11 Issue 11 Pages 21-25  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Depending on the Ginzburg-Landau parameter kappa, superconductors can either be fully diamagnetic if kappa < 1/root 2 (type I superconductors) or allow magnetic flux to penetrate through Abrikosov vortices if kappa > 1/root 2 (type II superconductors; refs 1,2). At the Bogomolny critical point, kappa = kappa(c) = 1/root 2, a state that is infinitely degenerate with respect to vortex spatial configurations arises(3,4). Despite in-depth investigations of conventional type I and type II superconductors, a thorough understanding of the magnetic behaviour in the near-Bogomolny critical regime at kappa similar to kappa(c) remains lacking. Here we report that in confined systems the critical regime expands over a finite interval of kappa forming a critical superconducting state. We show that in this state, in a sample with dimensions comparable to the vortex core size, vortices merge into a multi-quanta droplet, which undergoes Rayleigh instability(5) on increasing kappa and decays by emitting single vortices. Superconducting vortices realize Nielsen-Olesen singular solutions of the Abelian Higgs model, which is pervasive in phenomena ranging from quantum electrodynamics to cosmology(6-9). Our study of the transient dynamics of Abrikosov-Nielsen-Olesen vortices in systems with boundaries promises access to non-trivial effects in quantum field theory by means of bench-top laboratory experiments.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000346831100018 Publication Date 2014-11-06  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1745-2473;1745-2481; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 22.806 Times cited 20 Open Access  
  Notes ; We would like to thank N. Nekrasov for illuminating discussions. The work was supported by the US Department of Energy, Office of Science Materials Sciences and Engineering Division (V.M.V., W.K.K., U.W., R.X., M.Z., Z.L.X., G.W.C. and partially I.L. through the Materials Theory Institute), by FP7-IRSES-SIMTECH and ITN-NOTEDEV programs (I.L.), and by the Flemish Science Foundation (FWO-Vlaanderen) (M.V.M. and F.M.P.). ; Approved Most recent IF: 22.806; 2015 IF: 20.147  
  Call Number c:irua:122791 c:irua:122791 Serial 2815  
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Author Apolinario, S.W.S.; Aguiar, J.A.; Peeters, F.M. url  doi
openurl 
  Title Angular melting scenarios in binary dusty-plasma Coulomb balls : magic versus normal clusters Type A1 Journal article
  Year (down) 2014 Publication Physical review : E : statistical, nonlinear, and soft matter physics Abbreviated Journal Phys Rev E  
  Volume 90 Issue 6 Pages 063113  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Molecular-dynamic simulations were performed in order to investigate the melting processes of isotropically confined binary systems. We considered two species of particles, which differ by their amount of electric charge. A Lindemann type of criterion was used to determine the angular melting temperature. We demonstrate that the magic-to-normal cluster transition can evolve in two distinct ways, that is, through a structural phase transition of the first order or via a smooth transition where an increase of the shells' width leads to a continuous decreasing mechanical stability of the system. Moreover, for large systems, we demonstrate that the internal cluster exerts a minor effect on the mechanical stability of the external shell. Furthermore, we show that highly symmetric configurations, such as those found for multiple ring structures, have large mechanical stability, i.e., high angular melting temperature.  
  Address  
  Corporate Author Thesis  
  Publisher American Institute of Physics Place of Publication Woodbury (NY) Editor  
  Language Wos 000347207000027 Publication Date 2014-12-29  
  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 1 Open Access  
  Notes ; This work was supported by FACEPE (Fundacao de Amparo a Ciencia e Tecnologia do Estado de Pernambuco) Grant No. APQ-1800-1.05/ 12, the bilatera project between CNPq and FWO-VL, and the Flemish Science Foundation (FWO-Vl). ; Approved Most recent IF: 2.366; 2014 IF: 2.288  
  Call Number UA @ lucian @ c:irua:122828 Serial 116  
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Author Ramos, I.R.O.; Ferreira, W.P.; Munarin, F.F.; Peeters, F.M. url  doi
openurl 
  Title Dynamical properties and melting of binary two-dimensional colloidal alloys Type A1 Journal article
  Year (down) 2014 Publication Physical review : E : statistical, nonlinear, and soft matter physics Abbreviated Journal Phys Rev E  
  Volume 90 Issue 6 Pages 062311  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract A two-dimensional (2D) binary colloidal system consisting of interacting dipoles is investigated using an analytical approach. Within the harmonic approximation we obtain the phonon spectrum of the system as a function of the composition, dipole-moment ratio, and mass ratio between the small and big particles. Through a systematic analysis of the phonon spectra we are able to determine the stability region of the different lattice structures of the colloidal alloys. The gaps in the phonon frequency spectrum, the optical frequencies in the long-wavelength limit, and the sound velocity are discussed as well. Using the modified Lindemann criterion and within the harmonic approximation we estimate the melting temperature of the sublattice generated by the big particles.  
  Address  
  Corporate Author Thesis  
  Publisher American Institute of Physics Place of Publication Woodbury (NY) Editor  
  Language Wos 000346833500007 Publication Date 2014-12-22  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1539-3755;1550-2376; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.366 Times cited 4 Open Access  
  Notes ; This work was supported by the Brazilian agencies CNPq (Program Science Without Border), CAPES, and FUNCAP (International cooperation program); the Flemish Science Foundation (FWO-Vl); the bilateral program between Flanders and Brazil (CNPq-FWO collaborating project); and the VLIR-UOS (University Development Cooperation). I.R.O.R. is grateful to Professor E. B. Barros for fruitful discussions. W. P. F. thanks Professor D. Martin A. Buzza for his illuminating comments on this manuscript. ; Approved Most recent IF: 2.366; 2014 IF: 2.288  
  Call Number UA @ lucian @ c:irua:122797 Serial 771  
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Author Shakouri, K.; Vasilopoulos, P.; Vargiamidis, V.; Peeters, F.M. url  doi
openurl 
  Title Integer and half-integer quantum Hall effect in silicene: Influence of an external electric field and impurities Type A1 Journal article
  Year (down) 2014 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 90 Issue 23 Pages 235423  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The influence of silicene's strong spin-orbit interaction and of an external electric field E-z on the transport coefficients are investigated in the presence of a perpendicular magnetic field B. For finite E-z the spin and valley degeneracy of the Landau levels is lifted and leads to additional plateaus in the Hall conductivity, at half-integer values of 4e(2)/h, due to spin intra-Landau-level transitions that are absent in graphene. These plateaus are more sensitive to disorder and thermal broadening than the main plateaus, occurring at integral values of 4e(2)/h, when the Fermi level passes through the Landau levels. We also evaluate the Hall and longitudinal resistivities and critically contrast the results with those for graphene on a substrate.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000346377400004 Publication Date 2014-12-15  
  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 32 Open Access  
  Notes ; Our work was supported by the Flemish Science Foundation (FWO-VI), the Methusalem Foundation of the Flemish Government, and the Canadian NSERC Grant No. OGP0121756. ; Approved Most recent IF: 3.836; 2014 IF: 3.736  
  Call Number UA @ lucian @ c:irua:122771 Serial 1678  
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Author da Silva, R.M.; Milošević, M.V.; Dominguez, D.; Peeters, F.M.; Albino Aguiar, J. doi  openurl
  Title Distinct magnetic signatures of fractional vortex configurations in multiband superconductors Type A1 Journal article
  Year (down) 2014 Publication Applied physics letters Abbreviated Journal Appl Phys Lett  
  Volume 105 Issue 23 Pages 232601  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Vortices carrying fractions of a flux quantum are predicted to exist in multiband superconductors, where vortex core can split between multiple band-specific components of the superconducting condensate. Using the two-component Ginzburg-Landau model, we examine such vortex configurations in a two-band superconducting slab in parallel magnetic field. The fractional vortices appear due to the band-selective vortex penetration caused by different thresholds for vortex entry within each band-condensate, and stabilize near the edges of the sample. We show that the resulting fractional vortex configurations leave distinct fingerprints in the static measurements of the magnetization, as well as in ac dynamic measurements of the magnetic susceptibility, both of which can be readily used for the detection of these fascinating vortex states in several existing multiband superconductors. (C) 2014 AIP Publishing LLC.  
  Address  
  Corporate Author Thesis  
  Publisher American Institute of Physics Place of Publication New York, N.Y. Editor  
  Language Wos 000346266000066 Publication Date 2014-12-09  
  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 22 Open Access  
  Notes ; This work was supported by the Brazilian science agencies CAPES (Grant No. PNPD 223038.003145/2011-00), CNPq (Grant Nos. 307552/2012-8, 141911/2012-3, and APV-4 02937/2013-9), and FACEPE (Grant Nos. APQ-0202-1.05/10 and BCT-0278-1.05/ 11), the Research Foundation Flanders (FWO-Vlaanderen), and by the CNPq-FWO cooperation programme (CNPq Grant No. 490297/2009-9). D.D. acknowledges support from CONICET, CNEA, and ANPCyT-PICT2011-1537. The authors thank A. A. Shanenko for extensive discussions on the topic. ; Approved Most recent IF: 3.411; 2014 IF: 3.302  
  Call Number UA @ lucian @ c:irua:122775 Serial 742  
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Author Zarenia, M.; Perali, A.; Neilson, D.; Peeters, F.M. url  doi
openurl 
  Title Enhancement of electron-hole superfluidity in double few-layer graphene Type A1 Journal article
  Year (down) 2014 Publication Scientific reports Abbreviated Journal Sci Rep-Uk  
  Volume 4 Issue 4 Pages 7319  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract We propose two coupled electron-hole sheets of few-layer graphene as a new nanostructure to observe superfluidity at enhanced densities and enhanced transition temperatures. For ABC stacked few-layer graphene we show that the strongly correlated electron-hole pairing regime is readily accessible experimentally using current technologies. We find for double trilayer and quadlayer graphene sheets spatially separated by a nano-thick hexagonal boron-nitride insulating barrier, that the transition temperature for electron-hole superfluidity can approach temperatures of 40 K.  
  Address  
  Corporate Author Thesis  
  Publisher Nature Publishing Group Place of Publication London Editor  
  Language Wos 000346272900001 Publication Date 2014-12-08  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2045-2322; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.259 Times cited 38 Open Access  
  Notes ; We thank L. Benfatto, S. De Palo, and G. Senatore for helpful comments. This work was partially supported by the Flemish Science Foundation (FWO-Vl) and the European Science Foundation (POLATOM). ; Approved Most recent IF: 4.259; 2014 IF: 5.578  
  Call Number UA @ lucian @ c:irua:122743 Serial 1062  
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Author Zha, G.-Q.; Peeters, F.M.; Zhou, S.-P. url  doi
openurl 
  Title Vortex-antivortex dynamics in mesoscopic symmetric and asymmetric superconducting loops with an applied ac current Type A1 Journal article
  Year (down) 2014 Publication Europhysics letters Abbreviated Journal Epl-Europhys Lett  
  Volume 108 Issue 5 Pages 57001  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract In the framework of the time-dependent Ginzburg-Landau formalism, we study the dynamics of vortex-antivortex (V-Av) pairs in mesoscopic symmetric and asymmetric superconducting loops under an applied ac current. In contrast to the case of a constant biasing dc current, the process of the V-Av collision and annihilation is strongly affected by the time-periodic ac signal. As the direction of the applied ac current is reversed, the existed V-Av pair moves backward and then collides with a new created Av-V pair in a symmetric loop. In the presence of an appropriate external magnetic field, a novel sinusoidal-like oscillatory mode of the magnetization curve is observed, and the periodic dynamical process of the V-Av annihilation occurs in both branches of the sample. Moreover, for the asymmetric sample with an off-centered hole the creation point of the V-Av pair shifts away from the center of the sample, and the creation and annihilation dynamics of V-Av pairs turns out to be very different from the symmetric case. Copyright (C) EPLA, 2014  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Paris Editor  
  Language Wos 000346792400027 Publication Date 2014-11-28  
  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 4 Open Access  
  Notes ; We are grateful to GOLIBJON BERDIYOROV for useful discussions. This work was supported by NSF China under Grant Nos. 61371020 and 61271163, by Visiting Scholar Program of Shanghai Municipal Education Commission, by Innovation Program of Shanghai Municipal Education Commission under Grant No. 13YZ006, and by Flemish Science Foundation (FWO-Vl). ; Approved Most recent IF: 1.957; 2014 IF: 2.095  
  Call Number UA @ lucian @ c:irua:122800 Serial 3851  
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Author Çakir, D.; Sahin, H.; Peeters, F.M. url  doi
openurl 
  Title Tuning of the electronic and optical properties of single-layer black phosphorus by strain Type A1 Journal article
  Year (down) 2014 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 90 Issue 20 Pages 205421  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Using first principles calculations we showed that the electronic and optical properties of single-layer black phosphorus (BP) depend strongly on the applied strain. Due to the strong anisotropic atomic structure of BP, its electronic conductivity and optical response are sensitive to the magnitude and the orientation of the applied strain. We found that the inclusion of many body effects is essential for the correct description of the electronic properties of monolayer BP; for example, while the electronic gap of strainless BP is found to be 0.90 eV by using semilocal functionals, it becomes 2.31 eV when many-body effects are taken into account within the G(0)W(0) scheme. Applied tensile strain was shown to significantly enhance electron transport along zigzag direction of BP. Furthermore, biaxial strain is able to tune the optical band gap of monolayer BP from 0.38 eV (at -8% strain) to 2.07 eV (at 5.5%). The exciton binding energy is also sensitive to the magnitude of the applied strain. It is found to be 0.40 eV for compressive biaxial strain of -8%, and it becomes 0.83 eV for tensile strain of 4%. Our calculations demonstrate that the optical response of BP can be significantly tuned using strain engineering which appears as a promising way to design novel photovoltaic devices that capture a broad range of solar spectrum.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000345642000015 Publication Date 2014-11-17  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 219 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-long Fellowship. D.C. is supported by a FWO Pegasus-short Marie Curie Fellowship. ; Approved Most recent IF: 3.836; 2014 IF: 3.736  
  Call Number UA @ lucian @ c:irua:122203 Serial 3752  
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Author Esfahani, D.N.; Covaci, L.; Peeters, F.M. url  doi
openurl 
  Title Nonlinear response to electric field in extended Hubbard models Type A1 Journal article
  Year (down) 2014 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 90 Issue 20 Pages 205121  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The electric-field response of a one-dimensional ring of interacting fermions, where the interactions are described by the extended Hubbard model, is investigated. By using an accurate real-time propagation scheme based on the Chebyshev expansion of the evolution operator, we uncover various nonlinear regimes for a range of interaction parameters that allows modeling of metallic and insulating (either charge density wave or spin density wave insulators) rings. The metallic regime appears at the phase boundary between the two insulating phases and provides the opportunity to describe either weakly or strongly correlated metals. We find that the fidelity susceptibility of the ground state as a function of magnetic flux piercing the ring provides a very good measure of the short-time response. Even completely different interacting regimes behave in a similar manner at short time scales as long as the ground-state fidelity susceptibility is the same. Depending on the strength of the electric field we find various types of responses: persistent currents in the insulating phase, a dissipative regime, or damped Bloch-like oscillations with varying frequencies or even irregular in nature. Furthermore, we also consider the dimerization of the ring and describe the response of a correlated band insulator. In this case the distribution of the energy levels is more clustered and the Bloch-like oscillations become even more irregular.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000345423300002 Publication Date 2014-11-15  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 3 Open Access  
  Notes ; This work was supported by the Flemish Science Foundation (Fonds Wetenschappelijk Onderzoek – FWO) and the Methusalem program of the Flemish government. One of us (L. C.) receives support as a postdoctoral fellow of the FWO. ; Approved Most recent IF: 3.836; 2014 IF: 3.736  
  Call Number UA @ lucian @ c:irua:122204 Serial 2355  
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Author Grujić, M.M.; Tadić, M.Z.; Peeters, F.M. url  doi
openurl 
  Title Orbital magnetic moments in insulating Dirac systems : impact on magnetotransport in graphene van der Waals heterostructures Type A1 Journal article
  Year (down) 2014 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 90 Issue 20 Pages 205408  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract In honeycomb Dirac systems with broken inversion symmetry, orbital magnetic moments coupled to the valley degree of freedom arise due to the topology of the band structure, leading to valley-selective optical dichroism. On the other hand, in Dirac systems with prominent spin-orbit coupling, similar orbital magnetic moments emerge as well. These moments are coupled to spin, but otherwise have the same functional form as the moments stemming from spatial inversion breaking. After reviewing the basic properties of these moments, which are relevant for a whole set of newly discovered materials, such as silicene and germanene, we study the particular impact that these moments have on graphene nanoengineered barriers with artificially enhanced spin-orbit coupling. We examine transmission properties of such barriers in the presence of a magnetic field. The orbital moments are found to manifest in transport characteristics through spin-dependent transmission and conductance, making them directly accessible in experiments. Moreover, the Zeeman-type effects appear without explicitly incorporating the Zeeman term in the models, i.e., by using minimal coupling and Peierls substitution in continuum and the tight-binding methods, respectively. We find that a quasiclassical view is able to explain all the observed phenomena.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000344915800009 Publication Date 2014-11-10  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 5 Open Access  
  Notes ; This work was supported by the Ministry of Education, Science and Technological Development (Serbia), and the Fonds Wetenschappelijk Onderzoek (Belgium). ; Approved Most recent IF: 3.836; 2014 IF: 3.736  
  Call Number UA @ lucian @ c:irua:122141 Serial 2497  
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Author Çakir, D.; Sevik, C.; Peeters, F.M. doi  openurl
  Title Engineering electronic properties of metal-MoSe2 interfaces using self-assembled monolayers Type A1 Journal article
  Year (down) 2014 Publication Journal of materials chemistry C : materials for optical and electronic devices Abbreviated Journal J Mater Chem C  
  Volume 2 Issue 46 Pages 9842-9849  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Metallic contacts are critical components of electronic devices and the presence of a large Schottky barrier is detrimental for an optimal device operation. Here, we show by using first-principles calculations that a self-assembled monolayer (SAM) of polar molecules between the metal electrode and MoSe2 monolayer is able to convert the Schottky contact into an almost Ohmic contact. We choose -CH3 and -CF3 terminated short-chain alkylthiolate (i.e. SCH3 and fluorinated alkylthiolates (SCF3)) based SAMs to test our approach. We consider both high (Au) and low (Sc) work function metals in order to thoroughly elucidate the role of the metal work function. In the case of Sc, the Fermi level even moves into the conduction band of the MoSe2 monolayer upon SAM insertion between the metal surface and the MoSe2 monolayer, and hence possibly switches the contact type from Schottky to Ohmic. The usual Fermi level pinning at the metal-transition metal dichalcogenide (TMD) contact is shown to be completely removed upon the deposition of a SAM. Systematic analysis indicates that the work function of the metal surface and the energy level alignment between the metal electrode and the TMD monolayer can be tuned significantly by using SAMs as a buffer layer. These results clearly indicate the vast potential of the proposed interface engineering to modify the physical and chemical properties of MoSe2.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000344998700007 Publication Date 2014-10-16  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2050-7526;2050-7534; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 5.256 Times cited 22 Open Access  
  Notes ; Part of this work is supported by the Flemish Science Foundation (FWO-VI) 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). D. C. is supported by a FWO Pegasus-short Marie Curie Fellowship. C. S. acknowledges the support from Scientific and Technological Research Council of Turkey (TUBITAK 113F096), Anadolu University (BAP-1306F281, -1404F158) and Turkish Academy of Science (TUBA). ; Approved Most recent IF: 5.256; 2014 IF: 4.696  
  Call Number UA @ lucian @ c:irua:122157 Serial 1046  
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Author Berdiyorov, G.R.; Milošević, M.V.; Savel'ev, S.; Kusmartsev, F.; Peeters, F.M. url  doi
openurl 
  Title Parametric amplification of vortex-antivortex pair generation in a Josephson junction Type A1 Journal article
  Year (down) 2014 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 90 Issue 13 Pages 134505  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Using advanced three-dimensional simulations, we show that an Abrikosov vortex, trapped inside a cavity perpendicular to an artificial Josephson junction, can serve as a very efficient source for generation of Josephson vortex-antivortex pairs in the presence of the applied electric current. In such a case, the nucleation rate of the pairs can be tuned in a broad range by an out-of-plane ac magnetic field in a broad range of frequencies. This parametrically amplified vortex-antivortex nucleation can be considered as a macroscopic analog of the dynamic Casimir effect, where fluxon pairs mimic the photons and the ac magnetic field plays the role of the oscillating mirrors. The emerging vortex pairs in our system can be detected by the pronounced features in the measured voltage characteristics, or through the emitted electromagnetic radiation, and exhibit resonant dynamics with respect to the frequency of the applied magnetic field. Reported tunability of the Josephson oscillations can be useful for developing high-frequency emission devices.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000344025100003 Publication Date 2014-10-06  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 22 Open Access  
  Notes ; This work was supported by the Flemish Science Foundation (FWO-VI) and the Leverhulme Trust. G.R.B. acknowledges support from a EU-Marie Curie individual grant (Grant No. 253057) ; Approved Most recent IF: 3.836; 2014 IF: 3.736  
  Call Number UA @ lucian @ c:irua:121176 Serial 2553  
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Author Milovanović, S.P.; Masir, M.R.; Peeters, F.M. doi  openurl
  Title Interplay between snake and quantum edge states in a graphene Hall bar with a pn-junction Type A1 Journal article
  Year (down) 2014 Publication Applied physics letters Abbreviated Journal Appl Phys Lett  
  Volume 105 Issue 12 Pages 123507  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The magneto- and Hall resistance of a locally gated cross shaped graphene Hall bar is calculated. The edge of the top gate is placed diagonally across the center of the Hall cross. Four-probe resistance is calculated using the Landauer-Büttiker formalism, while the transmission coefficients are obtained using the non-equilibrium Green's function approach. The interplay between transport due to edge channels and snake states is investigated. When two edge channels are occupied, we predict oscillations in the Hall and the bend resistance as function of the magnetic field, which are a consequence of quantum interference between the occupied snake states.  
  Address  
  Corporate Author Thesis  
  Publisher American Institute of Physics Place of Publication New York, N.Y. Editor  
  Language Wos 000343004400090 Publication Date 2014-09-27  
  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 18 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; 2014 IF: 3.302  
  Call Number UA @ lucian @ c:irua:121119 Serial 1704  
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Author Shakouri, K.; Vasilopoulos, P.; Vargiamidis, V.; Peeters, F.M. url  doi
openurl 
  Title Spin- and valley-dependent magnetotransport in periodically modulated silicene Type A1 Journal article
  Year (down) 2014 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 90 Issue 12 Pages 125444  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The low-energy physics of silicene is described by Dirac fermions with a strong spin-orbit interaction and its band structure can be controlled by an external perpendicular electric field E-z. We investigate the commensurability oscillations in silicene modulated by a weak periodic potential V = V-0 cos(2 pi y/a(0)) with a(0) as its period, in the presence of a perpendicular magnetic field B and of a weak sinusoidal electric field E-z = E-0 cos(2 pi y/b(0)), where b(0) is its period. We show that the spin and valley degeneracy of the Landau levels is lifted, due to the modulation, and that the interplay between the strong spin-orbit interaction and the potential and electric field modulations can result in spin- and valley-resolved magnetotransport. At very weak magnetic fields the commensurability oscillations induced by a weak potential modulation can exhibit a beating pattern depending on the strength of the homogenous electric field Ez but this is not the case when only Ez is modulated. The Hall conductivity plateaus acquire a step structure, due to spin and valley intra-Landau-level transitions, that is absent in unmodulated silicene. The results are critically contrasted with those for graphene and the two-dimensional electron gas.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000342497700008 Publication Date 2014-09-25  
  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 31 Open Access  
  Notes ; Our work was supported by the Flemish Science Foundation (FWO-VI), the Methusalem Foundation of the Flemish Government, and by the Canadian NSERC Grant No. OGP0121756. ; Approved Most recent IF: 3.836; 2014 IF: 3.736  
  Call Number UA @ lucian @ c:irua:119946 Serial 3079  
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Author Neek-Amal, M.; Xu, P.; Schoelz, J.K.; Ackerman, M.L.; Barber, S.D.; Thibado, P.M.; Sadeghi, A.; Peeters, F.M. doi  openurl
  Title Thermal mirror buckling in freestanding graphene locally controlled by scanning tunnelling microscopy Type A1 Journal article
  Year (down) 2014 Publication Nature communications Abbreviated Journal Nat Commun  
  Volume 5 Issue Pages 4962  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract Knowledge of and control over the curvature of ripples in freestanding graphene are desirable for fabricating and designing flexible electronic devices, and recent progress in these pursuits has been achieved using several advanced techniques such as scanning tunnelling microscopy. The electrostatic forces induced through a bias voltage (or gate voltage) were used to manipulate the interaction of freestanding graphene with a tip (substrate). Such forces can cause large movements and sudden changes in curvature through mirror buckling. Here we explore an alternative mechanism, thermal load, to control the curvature of graphene. We demonstrate thermal mirror buckling of graphene by scanning tunnelling microscopy and large-scale molecular dynamic simulations. The negative thermal expansion coefficient of graphene is an essential ingredient in explaining the observed effects. This new control mechanism represents a fundamental advance in understanding the influence of temperature gradients on the dynamics of freestanding graphene and future applications with electro-thermal-mechanical nanodevices.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000342984800018 Publication Date 2014-09-17  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2041-1723; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 12.124 Times cited 36 Open Access  
  Notes ; Financial support for this study was provided, in part, by the Office of Naval Research under grant N00014-10-1-0181, the National Science Foundation under grant DMR-0855358, the EU-Marie Curie IIF postdoc Fellowship/299855 (for M. N.-A.), the ESF-EuroGRAPHENE project CONGRAN, the Flemish Science Foundation (FWO-Vl) and the Methusalem Foundation of the Flemish Government. M.N.-A. has also been supported partially by BOF project of University of Antwerp number 28033. ; Approved Most recent IF: 12.124; 2014 IF: 11.470  
  Call Number UA @ lucian @ c:irua:121121 Serial 3628  
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Author Galvan-Moya, J.E.; Misko, V.R.; Peeters, F.M. url  doi
openurl 
  Title Generic ordering of structural transitions in quasi-one-dimensional Wigner crystals Type A1 Journal article
  Year (down) 2014 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 90 Issue 9 Pages 094111  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We investigate the dependence of the structural phase transitions in an infinite quasi-one-dimensional system of repulsively interacting particles on the profile of the confining channel. Three different functional expressions for the confinement potential related to real experimental systems are used that can be tuned continuously from a parabolic to a hard-wall potential in order to find a thorough understanding of the ordering of the chainlike structure transitions. We resolve the long-standing issue why the most theories predicted a 1-2-4-3-4 sequence of chain configurations with increasing density, while some experiments found the 1-2-3-4 sequence.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000342127000001 Publication Date 2014-09-17  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 9 Open Access  
  Notes ; This work was supported by the Flemish Science Foundation (FWO-VI) and the Odysseus and Methusalem programmes of the Flemish government. Computational resources were provided by HPC infrastructure of the University of Antwerp (CalcUA), a division of the Flemish Supercomputer Center (VSC). ; Approved Most recent IF: 3.836; 2014 IF: 3.736  
  Call Number UA @ lucian @ c:irua:119904 Serial 1326  
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Author Vodolazov, D.Y.; Peeters, F.M. url  doi
openurl 
  Title Temporary cooling of quasiparticles and delay in voltage response of superconducting bridges after abruptly switching on the supercritical current Type A1 Journal article
  Year (down) 2014 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 90 Issue 9 Pages 094504  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We revisit the problem of the dynamic response of a superconducting bridge after abruptly switching on the supercritical current. In contrast to previous theoretical works we take into account spatial gradients and use both the local temperature approach and the kinetic equation for the distribution function of quasiparticles. We find that the temperature dependence of the finite delay time t(d) in the voltage response is model dependent and relatively large t(d) is connected with temporary cooling of quasiparticles during decay of superconducting order parameter vertical bar Delta vertical bar in time. It turns out that the presence of even small inhomogeneities in the bridge or finite length of the homogenous bridge favors a local suppression of vertical bar Delta vertical bar during the dynamic response. It results in a decrease of the delay time, in comparison with the spatially uniform model, due to the diffusion of nonequilibrium quasiparticles from the region with locally suppressed vertical bar Delta vertical bar. In the case when the current density is maximal near the edge of a not very wide bridge the delay time is mainly connected with the time needed for the nucleation (entrance) of the first vortex and t(d) could be tuned by a weak external magnetic field. We also find that a short alternating current pulse (sinusoidlike) with zero time average may result in a nonzero time- averaged voltage response where its sign depends on the phase of the ac current.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000342103600002 Publication Date 2014-09-10  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 2 Open Access  
  Notes ; This work was partially supported by the Russian Foundation for Basic Research (Project No. 12-02-00509), by the Ministry of Education and Science of the Russian Federation (the agreement of August 27, 2013, No. 02.B.49.21.0003, between The Ministry of Education and Science of the Russian Federation and Lobachevsky State University of Nizhni Novgorod) and by the European Science Foundation (ESF) within the framework of the activity entitled “Exploring the Physics of Small Devices (EPSD)” (Project No. 4327). ; Approved Most recent IF: 3.836; 2014 IF: 3.736  
  Call Number UA @ lucian @ c:irua:119908 Serial 3504  
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Author da Silva, A.L.C.; Candido, L.; Teixeira Rabelo, J.N.; Hai, G.-Q.; Peeters, F.M. pdf  doi
openurl 
  Title Anharmonic effects on thermodynamic properties of a graphene monolayer Type A1 Journal article
  Year (down) 2014 Publication Europhysics letters Abbreviated Journal Epl-Europhys Lett  
  Volume 107 Issue 5 Pages 56004  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We extend the unsymmetrized self-consistent-field method (USF) for anharmonic crystals to layered non-Bravais crystals to investigate structural, dynamical and thermodynamic properties of a free-standing graphene monolayer. In this theory, the main anharmonicity of the crystal lattice has been included and the quantum corrections are taken into account in an h-expansion for the one-particle density matrix. The obtained result for the thermal expansion coefficient (TEC) of graphene shows a strong temperature dependence and agrees with experimental results by Bao et al. (Nat. Nanotechnol., 4 (2009) 562). The obtained value of TEC at room temperature (300 K) is -6.4 x 10(- 6) K- 1 and it becomes positive for T > T-alpha = 358K. We find that quantum effects are significant for T < 1000 K. The interatomic distance, effective amplitudes of the graphene lattice vibrations, adiabatic and isothermal bulk moduli, isobaric and isochoric heat capacities are also calculated and their temperature dependences are determined. Copyright (C) EPLA, 2014  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Paris Editor  
  Language Wos 000341559900020 Publication Date 2014-09-05  
  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 23 Open Access  
  Notes ; This research was supported by the Brazilian agencies CNPq, FAPEG and FAPESP, the Flemish Science Foundation (FWO-Vl) and the Methusalem Foundation of the Flemish Government. ; Approved Most recent IF: 1.957; 2014 IF: 2.095  
  Call Number UA @ lucian @ c:irua:119289 Serial 118  
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Author Iyikanat, F.; Sahin, H.; Senger, R.T.; Peeters, F.M. url  doi
openurl 
  Title Ag and Au atoms intercalated in bilayer heterostructures of transition metal dichalcogenides and graphene Type A1 Journal article
  Year (down) 2014 Publication APL materials Abbreviated Journal Apl Mater  
  Volume 2 Issue 9 Pages 092801  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract The diffusive motion of metal nanoparticles Au and Ag on monolayer and between bilayer heterostructures of transition metal dichalcogenides and graphene are investigated in the framework of density functional theory. We found that the minimum energy barriers for diffusion and the possibility of cluster formation depend strongly on both the type of nanoparticle and the type of monolayers and bilayers. Moreover, the tendency to form clusters of Ag and Au can be tuned by creating various bilayers. Tunability of the diffusion characteristics of adatoms in van der Waals heterostructures holds promise for controllable growth of nanostructures. (C) 2014 Author(s). All article content, except where otherwise noted, is licensed under a Creative Commons Attribution 3.0 Unported License.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000342568000020 Publication Date 2014-08-28  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2166-532X ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.335 Times cited 10 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. F.I. and R.T.S. acknowledge the support from TUBITAK Project No. 111T318. ; Approved Most recent IF: 4.335; 2014 IF: NA  
  Call Number UA @ lucian @ c:irua:119950 Serial 82  
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Author Berdiyorov, G.R.; Milošević, M.V.; Peeters, F.M. url  doi
openurl 
  Title Reply to “Comment on 'Vortices induced in a superconducting loop by asymmetric kinetic inductance and their detection in transport measurements' ” Type Editorial
  Year (down) 2014 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 90 Issue 5 Pages 056502  
  Keywords Editorial; Condensed Matter Theory (CMT)  
  Abstract Our calculations, within known limitations of Ginzburg-Landau theory, are fully correct and valid for transport phenomena in asymmetric mesoscopic superconductors, deep in the superconducting state. We deemed the experiments of Burlakov et al. [JETP Lett. 86, 517 (2007)] relevant and important to mention in the general context of our paper since the observed shifts in the oscillations of different quantities are qualitatively similar, even though those measurements are performed close to the superconducting-normal state transition in the so-called Little-Parks regime.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000341266400006 Publication Date 2014-08-28  
  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 1 Open Access  
  Notes ; ; Approved Most recent IF: 3.836; 2014 IF: 3.736  
  Call Number UA @ lucian @ c:irua:119256 Serial 2876  
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Author Sen, H.S.; Sahin, H.; Peeters, F.M.; Durgun, E. doi  openurl
  Title Monolayers of MoS2 as an oxidation protective nanocoating material Type A1 Journal article
  Year (down) 2014 Publication Journal of applied physics Abbreviated Journal J Appl Phys  
  Volume 116 Issue 8 Pages 083508  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract First-principle calculations are employed to investigate the interaction of oxygen with ideal and defective MoS2 monolayers. Our calculations show that while oxygen atoms are strongly bound on top of sulfur atoms, the oxygen molecule only weakly interacts with the surface. The penetration of oxygen atoms and molecules through a defect-free MoS2 monolayer is prevented by a very high diffusion barrier indicating that MoS2 can serve as a protective layer for oxidation. The analysis is extended to WS2 and similar coating characteristics are obtained. Our calculations indicate that ideal and continuous MoS2 and WS2 monolayers can improve the oxidation and corrosion-resistance of the covered surface and can be considered as an efficient nanocoating material. (C) 2014 Author(s). All article content, except where otherwise noted, is licensed under a Creative Commons Attribution 3.0 Unported License.  
  Address  
  Corporate Author Thesis  
  Publisher American Institute of Physics Place of Publication New York, N.Y. Editor  
  Language Wos 000342821600017 Publication Date 2014-08-27  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0021-8979;1089-7550; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.068 Times cited 52 Open Access  
  Notes ; This work was supported by the bilateral project between TUBITAK (through Grant No. 113T050) and Flemish Science Foundation (FWO-Vl). The calculations were performed at TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). E.D. acknowledges support from Bilim Akademisi-The Science Academy, Turkey under the BAGEP program. H.S. is supported by an FWO Pegasus-long Marie Curie Fellowship. ; Approved Most recent IF: 2.068; 2014 IF: 2.183  
  Call Number UA @ lucian @ c:irua:121101 Serial 2194  
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Author Xu, P.; Qi, D.; Schoelz, J.K.; Thompson, J.; Thibado, P.M.; Wheeler, V.D.; Nyakiti, L.O.; Myers-Ward, R.L.; Eddy, C.R.; Gaskill, D.K.; Neek-Amal, M.; Peeters, F.M.; doi  openurl
  Title Multilayer graphene, Moire patterns, grain boundaries and defects identified by scanning tunneling microscopy on the m-plane, non-polar surface of SiC Type A1 Journal article
  Year (down) 2014 Publication Carbon Abbreviated Journal Carbon  
  Volume 80 Issue Pages 75-81  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Epitaxial graphene is grown on a non-polar n(+) 6H-SiC m-plane substrate and studied using atomic scale scanning tunneling microscopy. Multilayer graphene is found throughout the surface and exhibits rotational disorder. Moire patterns of different spatial periodicities are found, and we found that as the wavelength increases, so does the amplitude of the modulations. This relationship reveals information about the interplay between the energy required to bend graphene and the interaction energy, i.e. van der Waals energy, with the graphene layer below. Our experiments are supported by theoretical calculations which predict that the membrane topographical amplitude scales with the Moire pattern wavelength, L as L-1 + alpha L-2. (C) 2014 Elsevier Ltd. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Oxford Editor  
  Language Wos 000344132400009 Publication Date 2014-08-19  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0008-6223; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 6.337 Times cited 14 Open Access  
  Notes ; P.X. and P.M.T. gratefully acknowledge the financial support of ONR under grant N00014-10-1-0181 and NSF under grant DMR-0855358. L.O.N. acknowledges the support of American Society for Engineering Education and Naval Research Laboratory Postdoctoral Fellow Program. Work at the U.S. Naval Research Laboratory is supported by the Office of Naval Research. This work was supported by the Flemish Science Foundation (FWO-Vl), the Methusalem Foundation of the Flemish Government, and the EUROgraphene project CONGRAN. M.N.-A was supported by the EU-Marie Curie IIF postdoc Fellowship 299855. ; Approved Most recent IF: 6.337; 2014 IF: 6.196  
  Call Number UA @ lucian @ c:irua:121194 Serial 2221  
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Author Walter, A.L.; Sahin, H.; Jeon, K.J.; Bostwick, A.; Horzum, S.; Koch, R.; Speck, F.; Ostler, M.; Nagel, P.; Merz, M.; Schupler, S.; Moreschini, L.; Chang, Y.J.; Seyller, T.; Peeters, F.M.; Horn, K.; Rotenberg, E.; doi  openurl
  Title Luminescence, patterned metallic regions, and photon-mediated electronic changes in single-sided fluorinated graphene sheets Type A1 Journal article
  Year (down) 2014 Publication ACS nano Abbreviated Journal Acs Nano  
  Volume 8 Issue 8 Pages 7801-7808  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract Single-sided fluorination has been predicted to open an electronic band gap in graphene and to exhibit unique electronic and magnetic properties; however, this has not been substantiated by experimental reports. Our comprehensive experimental and theoretical study of this material on a SiC(0001) substrate shows that single-sided fluorographene exhibits two phases, a stable one with a band gap of similar to 6 eV and a metastable one, induced by UV irradiation, with a band gap of similar to 2.5 eV. The metastable structure, which reverts to the stable “ground-state” phase upon annealing under emission of blue light, in our view is induced by defect states, based on the observation of a nondispersive electronic state at the top of the valence band, not unlike that found in organic molecular layers. Our structural data show that the stable C2F ground state has a “boat” structure, in agreement with our X-ray magnetic circular dichroism data, which show the absence of an ordered magnetic phase. A high flux of UV or X-ray photons removes the fluorine atoms, demonstrating the possibility of lithographically patterning conducting regions into an otherwise semiconducting 2D material.  
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  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000340992300025 Publication Date 2014-08-09  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1936-0851;1936-086X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 13.942 Times cited 23 Open Access  
  Notes Approved Most recent IF: 13.942; 2014 IF: 12.881  
  Call Number UA @ lucian @ c:irua:119263 Serial 1857  
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Author Berdiyorov, G.; Harrabi, K.; Oktasendra, F.; Gasmi, K.; Mansour, A.I.; Maneval, J.P.; Peeters, F.M. url  doi
openurl 
  Title Dynamics of current-driven phase-slip centers in superconducting strips Type A1 Journal article
  Year (down) 2014 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 90 Issue 5 Pages 054506  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Phase-slip centers/lines and hot spots are the main mechanisms for dissipation in current-carrying superconducting thin films. The pulsed-current method has recently been shown to be an effective tool in studying the dynamics of phase-slip centers and their evolution to hot spots. We use the time-dependent Ginzburg-Landau theory in the study of the dynamics of the superconducting condensate in superconducting strips under external current and zero external magnetic field. We show that both the flux-flow state (i.e., slow-moving vortices) and the phase-slip line state (i.e., fast-moving vortices) are dynamically stable dissipative units with temperature smaller than the critical one, whereas hot spots, which are localized normal regions where the local temperature exceeds the critical value, expand in time, resulting ultimately in a complete destruction of the condensate. The response time of the system to abrupt switching on of the overcritical current decreases with increasing both the value of the current (at all temperatures) and temperature (for a given value of the applied current). Our results are in good qualitative agreement with experiments we have conducted on Nb thin strips.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000344656700003 Publication Date 2014-08-08  
  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 42 Open Access  
  Notes ; This work was supported by EU Marie Curie Project No. 253057, the Flemish Science Foundation (FWO-Vl), and King Fahd University of Petroleum and Minerals, Saudi Arabia, under the IN131034 DSR project. ; Approved Most recent IF: 3.836; 2014 IF: 3.736  
  Call Number UA @ lucian @ c:irua:121229 Serial 775  
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Author Neek-Amal, M.; Xu, P.; Qi, D.; Thibado, P.M.; Nyakiti, L.O.; Wheeler, V.D.; Myers-Ward, R.L.; Eddy, C.R.; Gaskill, D.K.; Peeters, F.M. url  doi
openurl 
  Title Membrane amplitude and triaxial stress in twisted bilayer graphene deciphered using first-principles directed elasticity theory and scanning tunneling microscopy Type A1 Journal article
  Year (down) 2014 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 90 Issue 6 Pages 064101  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Twisted graphene layers produce a moire pattern (MP) structure with a predetermined wavelength for a given twist angle. However, predicting the membrane corrugation amplitude for any angle other than pure AB-stacked or AA-stacked graphene is impossible using first-principles density functional theory (DFT) due to the large supercell. Here, within elasticity theory, we define the MP structure as the minimum-energy configuration, thereby leaving the height amplitude as the only unknown parameter. The latter is determined from DFT calculations for AB-and AA-stacked bilayer graphene in order to eliminate all fitting parameters. Excellent agreement with scanning tunneling microscopy results across multiple substrates is reported as a function of twist angle.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000339995800001 Publication Date 2014-08-01  
  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 12 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 postdoctoral Fellowship No. 299855. P.M.T. is thankful for the financial support of the Office of Naval Research under Grant No. N00014-10-1-0181 and the National Science Foundation under Grant No. DMR-0855358. L.O.N. acknowledges the support of the American Society for Engineering Education and Naval Research Laboratory Postdoctoral Fellow Program. Work at the US Naval Research Laboratory is supported by the Office of Naval Research. ; Approved Most recent IF: 3.836; 2014 IF: 3.736  
  Call Number UA @ lucian @ c:irua:118774 Serial 1991  
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