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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 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 (up) 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 Berdiyorov, G.R.; Doria, M.M.; de Romaguera, A.R.C.; Milošević, M.V.; Brandt, E.H.; Peeters, F.M. url  doi
openurl 
  Title Current-induced cutting and recombination of magnetic superconducting vortex loops in mesoscopic superconductor-ferromagnet heterostructures Type A1 Journal article
  Year 2013 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 87 Issue 18 Pages 184508-5  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Vortex loops are generated by the inhomogeneous stray field of a magnetic dipole on top of a current-carrying mesoscopic superconductor. Cutting and recombination processes unfold under the applied drive, resulting in periodic voltage oscillations across the sample. We show that a direct and detectable consequence of the cutting and recombination of these vortex loops in the present setup is the onset of vortices at surfaces where they were absent prior to the application of the external current. The nonlinear dynamics of vortex loops is studied within the time-dependent Ginzburg-Landau theory to describe the profound three-dimensional features of their time evolution.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000319252000008 Publication Date 2013-05-21  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1098-0121;1550-235X; ISBN Additional Links (up) UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 13 Open Access  
  Notes ; This work was supported by the Flemish Science Foundation (FWO-VI) and the bilateral programme between Flanders and Brazil. G.R.B. acknowledges support from FWO-VI. A.R. de C.R. acknowledges CNPq for financial support. ; Approved Most recent IF: 3.836; 2013 IF: 3.664  
  Call Number UA @ lucian @ c:irua:109648 Serial 593  
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Author Carrillo-Nuñez, H.; Magnus, W.; Vandenberghe, W.G.; Sorée, B.; Peeters, F.M. doi  openurl
  Title Phonon-assisted Zener tunneling in a cylindrical nanowire transistor Type A1 Journal article
  Year 2013 Publication Journal of applied physics Abbreviated Journal J Appl Phys  
  Volume 113 Issue 18 Pages 184507-184508  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The tunneling current has been computed for a cylindrical nanowire tunneling field-effect transistor (TFET) with an all-round gate that covers the source region. Being the underlying mechanism, band-to-band tunneling, mediated by electron-phonon interaction, is pronouncedly affected by carrier confinement in the radial direction and, therefore, involves the self-consistent solution of the Schrodinger and Poisson equations. The latter has been accomplished by exploiting a non-linear variational principle within the framework of the modified local density approximation taking into account the nonparabolicity of both the valence band and conduction band in relatively thick wires. Moreover, while the effective-mass approximation might still provide a reasonable description of the conduction band in relatively thick wires, we have found that the nonparabolicity of the valence band needs to be included. As a major conclusion, it is observed that confinement effects in nanowire tunneling field-effect transistors have a stronger impact on the onset voltage of the tunneling current in comparison with planar TFETs. On the other hand, the value of the onset voltage is found to be overestimated when the valence band nonparabolicity is ignored. (C) 2013 AIP Publishing LLC.  
  Address  
  Corporate Author Thesis  
  Publisher American Institute of Physics Place of Publication New York, N.Y. Editor  
  Language Wos 000319294100093 Publication Date 2013-05-10  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0021-8979; ISBN Additional Links (up) UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.068 Times cited 4 Open Access  
  Notes ; This work was supported by the Flemish Science Foundation (FWO-VI), and the Interuniversity Attraction Poles, Belgium State, Belgium Science Policy, and IMEC. ; Approved Most recent IF: 2.068; 2013 IF: 2.185  
  Call Number UA @ lucian @ c:irua:109651 Serial 2599  
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Author Van Duppen, B.; Peeters, F.M. pdf  doi
openurl 
  Title Klein paradox for a pn junction in multilayer graphene Type A1 Journal article
  Year 2013 Publication Europhysics letters Abbreviated Journal Epl-Europhys Lett  
  Volume 102 Issue 2 Pages 27001-27005  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Charge carriers in single and multilayered graphene systems behave as chiral particles due to the particular lattice symmetry of the crystal. We show that the interplay between the meta-material properties of graphene multilayers and the pseudospinorial properties of the charge carriers result in the occurrence of Klein and anti-Klein tunneling for rhombohedral stacked multilayers. We derive an algebraic formula predicting the angles at which these phenomena occur and support this with numerical calculations for systems up to four layers. We present a decomposition of an arbitrarily stacked multilayer into pseudospin doublets that have the same properties as rhombohedral systems with a lower number of layers. Copyright (C) EPLA, 2013  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Paris Editor  
  Language Wos 000319617700017 Publication Date 2013-05-02  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0295-5075;1286-4854; ISBN Additional Links (up) UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.957 Times cited 17 Open Access  
  Notes ; We thank S. GILLIS for valuable 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. Van Duppen and the Methusalem Programme of the Flemish Government. ; Approved Most recent IF: 1.957; 2013 IF: 2.269  
  Call Number UA @ lucian @ c:irua:109665 Serial 1763  
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Author Palacios, O.M.; van Meel, K.; Van Grieken, R.; Marcó P., L.-M.; Vázquez, C. pdf  doi
openurl 
  Title Characterization of black volcanites from the Limay river basin, Patagonia, Argentina, using energy dispersive X-ray fluorescence spectrometry : an aid to infer human group mobility Type A1 Journal article
  Year 2013 Publication Journal of radioanalytical and nuclear chemistry Abbreviated Journal  
  Volume 298 Issue 2 Pages 1245-1255  
  Keywords A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract The investigation of hunter-gatherers archaeological sites in the Limay river basin, Patagonia, Argentina, raised questions concerning the lithic technology. The chemical characterization of artifacts, rocks and possible sources of provenances could help to elucidate the hunter-gatherer mobility. In three archaeological sitesRincón Chico 2 (RCh2/87; 14C 710 ± 60 BP), Cueva Traful I (CTI; 14C 9430 ± 230 BP) and Casa de Piedra de Ortega (CPO; 14C 2840 ± 80 BP), tools and debitage or discarded flakes made in black volcanic rock have been found. Nearby an extensive rock outcrop of black volcanite, Paso Limay quarry (CPL), with similar characteristics was located. Samples coming from these four sites were analyzed by energy dispersive X-ray fluorescence spectrometry. This characterization allowed the geochemical classification of the lithic material and to correlate the samples with the suspected source after a previous statistical analysis. The majority of the samples were classified as dacites and rhyolites. Only samples coming from CPO site, the closest place to CPL were made exclusively with the quarry rocks. A set of five samples from RCh2/87 and two samples from CTI appear to have same chemical composition as CPL in spite of this site is placed in the opposite bank of the Limay river suggesting that hunter-gatherers could accede to the quarry, eventually. Finally, only a set of five samples coming from RCh2/87 and CTI do not group with the quarry. This fact evidences the existence of secondary sources of supply. The information of this research allowed inferring ancient human mobility patterns in the region.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000325624300061 Publication Date 2013-07-25  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0236-5731; 1588-2780 ISBN Additional Links (up) UA library record; WoS full record  
  Impact Factor Times cited Open Access  
  Notes Approved no  
  Call Number UA @ admin @ c:irua:109743 Serial 7619  
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Author Batuk, D.; de Dobbelaere, C.; Tsirlin, A.A.; Abakumov, A.M.; Hardy, A.; van Bael, M.K.; Greenblatt, M.; Hadermann, J. pdf  doi
openurl 
  Title Crystal structure and magnetic properties of the Cr-doped spiral antiferromagnet BiMnFe2O6 Type A1 Journal article
  Year 2013 Publication Materials research bulletin Abbreviated Journal Mater Res Bull  
  Volume 48 Issue 9 Pages 2993-2997  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract We report the Cr3+ for Mn3+ substitution in the BiMnFe2O6 structure. The BiCrxMn1-xFe2O6 solid solution is obtained by the solution-gel synthesis technique for the x values up to 0.3. The crystal structure investigation using a combination of X-ray powder diffraction and transmission electron microscopy demonstrates that the compounds retain the parent BiMnFe2O6 structure (for x = 0.3, a = 5.02010(6)angstrom, b = 7.06594(7)angstrom, c = 12.6174(1)angstrom, S.G. Pbcm, R-1 = 0.036, R-p = 0.011) with only a slight decrease in the cell parameters associated with the Cr3+ for Mn3+ substitution. Magnetic susceptibility measurements suggest strong similarities in the magnetic behavior of BiCrxMn1-xFe2O6 (x = 0.2; 0.3) and parent BiMnFe2O6. Only T-N slightly decreases upon Cr doping that indicates a very subtle influence of Cr3+ cations on the magnetic properties at the available substitution rates. (C) 2013 Elsevier Ltd. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication New York, N.Y. Editor  
  Language Wos 000322354000002 Publication Date 2013-04-26  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0025-5408; ISBN Additional Links (up) UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.446 Times cited 3 Open Access  
  Notes Fwo Approved Most recent IF: 2.446; 2013 IF: 1.968  
  Call Number UA @ lucian @ c:irua:109755 Serial 561  
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Author Batuk, M.; Tyablikov, O.A.; Tsirlin, A.A.; Kazakov, S.M.; Rozova, M.G.; Pokholok, K.V.; Filimonov, D.S.; Antipov, E.V.; Abakumov, A.M.; Hadermann, J. pdf  doi
openurl 
  Title Structure and magnetic properties of a new anion-deficient perovskite Pb2Ba2BiFe4ScO13 with crystallographic shear structure Type A1 Journal article
  Year 2013 Publication Materials research bulletin Abbreviated Journal Mater Res Bull  
  Volume 48 Issue 9 Pages 3459-3465  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Pb2Ba2BiFe4ScO13, a new n = 5 member of the oxygen-deficient perovskite-based A(n)B(n)O(3n-2) homologous series, was synthesized using a solid-state method. The crystal structure of Pb2Ba2BiFe4ScO13 was investigated by a combination of synchrotron X-ray powder diffraction, electron diffraction, high-angle annular dark-field scanning transmission electron microscopy and Mossbauer spectroscopy. At 900 K, it crystallizes in the Ammm space group with the unit cell parameters a = 5.8459(1) angstrom, b = 4.0426(1) angstrom, and c=27.3435(1) angstrom. In the Pb2Ba2BiFe4ScO13 structure, quasi-two-dimensional perovskite blocks are periodically interleaved with 1/2[1 1 0] ((1) over bar 0 1)(p) crystallographic shear (CS) planes. At the CS planes, the corner-sharing FeO6 octahedra are transformed into chains of edge-sharing FeO5 distorted tetragonal pyramids. B-positions of the perovskite blocks between the CS planes are jointly occupied by Fe3+ and Sc3+. The chains of the FeO5 pyramids and (Fe,Sc)O-6 octahedra delimit six-sided tunnels that are occupied by double columns of cations with a lone electron pair (Pb2+). The remaining A-cations (Bi3+, Ba2+) occupy positions in the perovskite block. According to the magnetic susceptibility measurements, Pb2Ba2BiFe4ScO13 is antiferromagnetically ordered below T-N approximate to 350 K. (C) 2013 Elsevier Ltd. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication New York, N.Y. Editor  
  Language Wos 000322354000076 Publication Date 2013-05-17  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0025-5408; ISBN Additional Links (up) UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.446 Times cited 2 Open Access  
  Notes Approved Most recent IF: 2.446; 2013 IF: 1.968  
  Call Number UA @ lucian @ c:irua:109756 Serial 3282  
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Author Oh, H.; Gennett, T.; Atanassov, P.; Kurttepeli, M.; Bals, S.; Hurst, K.E.; Hirscher, M. pdf  doi
openurl 
  Title Hydrogen adsorption properties of platinum decorated hierarchically structured templated carbons Type A1 Journal article
  Year 2013 Publication Microporous and mesoporous materials: zeolites, clays, carbons and related materials Abbreviated Journal Micropor Mesopor Mat  
  Volume 177 Issue Pages 66-74  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract In this report, the possibility of Pt catalytic activity for the dissociation of hydrogen molecules and subsequent hydrogen adsorption on sucrose templated carbon at ambient temperature has been studied. In order to investigate Pt catalytic effect for hydrogen storage solely, 6.8 wt.% Pt-doped (Pt/TC) and pure templated carbon (TC) possessing almost identical specific surface area (SSA) and pore volume (Vp) have been successfully synthesized. Since both Pt/TC and TC shares for their textural properties (e.g. SSA and Vp), any difference of hydrogen adsorption characteristic and storage capacity can be ascribed to the presence of Pt nanoparticles. Both samples are characterized by various techniques such as powder Xray diffraction, ICP-OES, Raman spectroscopy, transmission electron microscopy, cryogenic thermal desorption spectroscopy, low-pressure high-resolution hydrogen and nitrogen BET and high-pressure hydrogen adsorption isotherms in a Sieverts' apparatus. By applying hydrogen and deuterium isotope mixture, cryogenic thermal desorption spectroscopy point to a Pt catalytic activity for the dissociation of hydrogen molecules. Furthermore, the hydrogen adsorption isotherms at RT indicate an enhancement of the initial hydrogen adsorption kinetics in Pt-doped system. However, the hydrogen storage capacity of Pt/TC exhibits a negligible enhancement with a strong hysteresis, suggesting no connection between the spillover effect and a feasible hydrogen storage enhancement. (C) 2013 Elsevier Inc. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos 000322293000012 Publication Date 2013-04-28  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1387-1811; ISBN Additional Links (up) UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.615 Times cited 25 Open Access  
  Notes 262348 ESMI; COST Action MP1103 Approved Most recent IF: 3.615; 2013 IF: 3.209  
  Call Number UA @ lucian @ c:irua:109758 Serial 1532  
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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 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 (up) 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 Moldovan, D.; Masir, M.R.; Peeters, F.M. url  doi
openurl 
  Title Electronic states in a graphene flake strained by a Gaussian bump Type A1 Journal article
  Year 2013 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 88 Issue 3 Pages 035446-35447  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The effect of strain in graphene is usually modeled by a pseudomagnetic vector potential which is, however, derived in the limit of small strain. In realistic cases deviations are expected in view of graphene's very high strain tolerance, which can be up to 25%. Here we investigate the pseudomagnetic field generated by a Gaussian bump and we show that it exhibits significant differences with numerical tight-binding results. Furthermore, we calculate the electronic states in the strained region for a hexagon shaped flake with armchair edges. We find that the sixfold symmetry of the wave functions inside the Gaussian bump is directly related to the different effects of strain along the fundamental directions of graphene: zigzag and armchair. Low energy electrons are strongly confined in the armchair directions and are localized on the carbon atoms of a single sublattice.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000322587500003 Publication Date 2013-07-30  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1098-0121;1550-235X; ISBN Additional Links (up) UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 50 Open Access  
  Notes ; This work was supported by the European Science Foundation (ESF) under the EUROCORES Program Euro-GRAPHENE within the project CONGRAN, the Flemish Science Foundation (FWO-Vl), and the Methusalem Funding of the Flemish Government. ; Approved Most recent IF: 3.836; 2013 IF: 3.664  
  Call Number UA @ lucian @ c:irua:109800 Serial 1007  
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Author Couet, S.; Peelaers, H.; Trekels, M.; Houben, K.; Petermann, C.; Hu, M.Y.; Zhao, J.Y.; Bi, W.; Alp, E.E.; Menéndez, E.; Partoens, B.; Peeters, F.M.; Van Bael, M.J.; Vantomme, A.; Temst, K.; url  doi
openurl 
  Title Interplay between lattice dynamics and superconductivity in Nb3Sn thin films Type A1 Journal article
  Year 2013 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 88 Issue 4 Pages 045437-7  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We investigate the link between superconductivity and atomic vibrations in Nb3Sn films with a thickness ranging from 10 to 50 nm. The challenge of measuring the phonon density of states (PDOS) of these films has been tackled by employing the technique of nuclear inelastic scattering by Sn-119 isotopes to reveal the Sn-partial phonon density of states. With the support of ab initio calculations, we evaluate the effect of reduced film thickness on the PDOS. This approach allows us to estimate the changes in superconducting critical temperature T-c induced by phonon confinement, which turned out to be limited to a few tenths of K. The presented method is successful for the Nb3Sn system and paves the way for more systematic studies of the role of phonon confinement in Sn-containing superconductors.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000322529900004 Publication Date 2013-07-27  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1098-0121;1550-235X; ISBN Additional Links (up) UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 5 Open Access  
  Notes ; The authors would like to cordially thank Dr. Rudolf Ruffer from the nuclear resonant scattering group of the ESRF for the support and gratefully acknowledge the ESRF for providing beamtime for the preliminary phonon study. S. C., K. H., and E. M. thank the Flemish Science Foundation (FWO-Vl) for their personal fellowship. This work was supported by FWO-Vl, the Methusalem program of the Flemish government, and the Concerted Research Action program (GOA/09/ 006) and (GOA/14/007). Use of the Advanced Photon Source, an Office of Science User Facility operated for the U.S. Department of Energy (DOE) Office of Science by Argonne National Laboratory, was supported by the U.S. DOE under Contract No. DE-AC02-06CH11357. ; Approved Most recent IF: 3.836; 2013 IF: 3.664  
  Call Number UA @ lucian @ c:irua:109801 Serial 1702  
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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 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 (up) 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 Leenaerts, O.; Sahin, H.; Partoens, B.; Peeters, F.M. url  doi
openurl 
  Title First-principles investigation of B- and N-doped fluorographene Type A1 Journal article
  Year 2013 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 88 Issue 3 Pages 035434-35435  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The effect of substitutional doping of fluorographene with boron and nitrogen atoms on its electronic and magnetic properties is investigated using first-principles calculations. It is found that boron dopants can be readily incorporated in the fluorographene crystal where they act as shallow acceptors and cause hole doping, but no changes in the magnetic properties are observed. Nitrogen dopants act as deep donors and give rise to a magnetic moment, but the resulting system becomes chemically unstable. These results are opposite to what was found for substitutional doping of graphane, i.e., hydrogenated graphene, in which case B substituents induce magnetism and N dopants do not.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000322083700002 Publication Date 2013-07-22  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1098-0121;1550-235X; ISBN Additional Links (up) 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-Vl) and the Methusalem program of the Flemish government. H.S. is supported by a FWO Pegasus-long Marie Curie Fellowship. Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure), and the HPC infrastructure of the University of Antwerp (CalcUA), a division of the Flemish Supercomputer Center VSC. ; Approved Most recent IF: 3.836; 2013 IF: 3.664  
  Call Number UA @ lucian @ c:irua:109807 Serial 1210  
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Author Gómez-Graña, S.; Goris, B.; Altantzis, T.; Fernández-López, C.; Carbó-Argibay, E.; Guerrero-Martínez, A.; Almora-Barrios, N.; López, N.; Pastoriza-Santos, I.; Pérez-Juste, J.; Bals, S.; Van Tendeloo, G.; Liz-Marzán, L.M.; pdf  doi
openurl 
  Title Au@Ag nanoparticles : halides stabilize {100} facets Type A1 Journal article
  Year 2013 Publication The journal of physical chemistry letters Abbreviated Journal J Phys Chem Lett  
  Volume 4 Issue 13 Pages 2209-2216  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract Seed-mediated growth is the most efficient methodology to control the size and shape of colloidal metal nanoparticles. In this process, the final nanocrystal shape is defined by the crystalline structure of the initial seed as well as by the presence of ligands and other additives that help to stabilize certain crystallographic facets. We analyze here the growth mechanism in aqueous solution of silver shells on presynthesized gold nanoparticles displaying various well-defined crystalline structures and morphologies. A thorough three-dimensional electron microscopy characterization of the morphology and internal structure of the resulting core-shell nanocrystals indicates that {100} facets are preferred for the outer silver shell, regardless of the morphology and crystallinity of the gold cores. These results are in agreement with theoretical analysis based on the relative surface energies of the exposed facets in the presence of halide ions.  
  Address  
  Corporate Author Thesis  
  Publisher American Chemical Society Place of Publication Washington, D.C Editor  
  Language Wos 000321809500018 Publication Date 2013-06-20  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1948-7185; ISBN Additional Links (up) UA library record; WoS full record; WoS citing articles  
  Impact Factor 9.353 Times cited 131 Open Access  
  Notes 267867 Plasmaquo; 246791 COUNTATOMS; 262348 ESMI; FWO Approved Most recent IF: 9.353; 2013 IF: 6.687  
  Call Number UA @ lucian @ c:irua:109811 Serial 204  
Permanent link to this record
 

 
Author Verreydt, G.; Annable, M.D.; Kaskassian, S.; van Keer, I.; Bronders, J.; Diels, L.; Vanderauwera, P. pdf  doi
openurl 
  Title Field demonstration and evaluation of the passive flux meter on a CAH groundwater plume Type A1 Journal article
  Year 2013 Publication Environmental Science and Pollution Research Abbreviated Journal  
  Volume 20 Issue 7 Pages 4621-4634  
  Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL); Biochemical Wastewater Valorization & Engineering (BioWaVE)  
  Abstract This study comprises the first application of the Passive Flux Meter (PFM) for the measurement of chlorinated aliphatic hydrocarbon (CAH) mass fluxes and Darcy water fluxes in groundwater at a European field site. The PFM was originally developed and applied to measurements near source zones. The focus of the PFM is extended from near source to plume zones. For this purpose, 48 PFMs of 1.4 m length were constructed and installed in eight different monitoring wells in the source and plume zone of a CAH-contaminated field site located in France. The PFMs were retrieved, sampled, and analyzed after 3 to 11 weeks of exposure time, depending on the expected contaminant flux. PFM evaluation criteria include analytical, technical, and practical aspects as well as conditions and applicability. PFM flux data were compared with so-called traditional soil and groundwater concentration data obtained using active sampling methods. The PFMs deliver reasonable results for source as well as plume zones. The limiting factor in the PFM applicability is the exposure time together with the groundwater flux. Measured groundwater velocities at the field site range from 2 to 41 cm/day. Measured contaminant flux data raise up to 13 g/m(2)/day for perchloroethylene in the plume zone. Calculated PFM flux averaged concentration data and traditional concentration data were of similar magnitude for most wells. However, both datasets need to be compared with reservation because of the different sampling nature and time. Two important issues are the PFM tracer loss during installation/extraction and the deviation of the groundwater flow field when passing the monitoring well and PFM. The demonstration of the PFM at a CAH-contaminated field site in Europe confirmed the efficiency of the flux measurement technique for source as well as plume zones. The PFM can be applied without concerns in monitoring wells with European standards. The acquired flux data are of great value for the purpose of site characterization and mass discharge modeling, and can be used in combination with traditional soil and groundwater sampling methods.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000321126700030 Publication Date 2013-01-02  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0944-1344; 1614-7499 ISBN Additional Links (up) UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited Open Access  
  Notes Approved no  
  Call Number UA @ admin @ c:irua:109817 Serial 7965  
Permanent link to this record
 

 
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 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 (up) 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  
Permanent link to this record
 

 
Author Neek-Amal, M.; Beheshtian, J.; Sadeghi, A.; Michel, K.H.; Peeters, F.M. doi  openurl
  Title Boron nitride mono layer : a strain-tunable nanosensor Type A1 Journal article
  Year 2013 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C  
  Volume 117 Issue 25 Pages 13261-13267  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract The influence of triaxial in-plane strain on the electronic properties of a hexagonal boron-nitride sheet is investigated using density functional theory. Different from graphene, the triaxial strain localizes the molecular orbitals of the boron-nitride flake in its center depending on the direction of the applied strain. The proposed technique for localizing the molecular orbitals that are close to the Fermi level in the center of boron nitride flakes can be used to actualize engineered nanosensors, for instance, to selectively detect gas molecules. We show that the central part of the strained flake adsorbs polar molecules more strongly as compared with an unstrained sheet.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Washington, D.C. Editor  
  Language Wos 000321236400041 Publication Date 2013-06-03  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1932-7447;1932-7455; ISBN Additional Links (up) UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.536 Times cited 38 Open Access  
  Notes ; This work was supported by the EU-Marie Curie IIF postdoc Fellowship/299855 (for M.N.-A.), the ESF EuroGRAPHENE project CONGRAN, the Flemish Science Foundation (FWO-VI), and the Methusalem Funding of the Flemish government. AS. would like to thank the Universiteit Antwerpen for its hospitality. ; Approved Most recent IF: 4.536; 2013 IF: 4.835  
  Call Number UA @ lucian @ c:irua:109829 Serial 249  
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Author Shanenko, A.A.; Orlova, N.V.; Vagov, A.; Milošević, M.V.; Axt, V.M.; Peeters, F.M. pdf  doi
openurl 
  Title Nanofilms as quantum-engineered multiband superconductors : the Ginzburg-Landau theory Type A1 Journal article
  Year 2013 Publication Europhysics letters Abbreviated Journal Epl-Europhys Lett  
  Volume 102 Issue 2 Pages 27003-27006  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Recently fabricated single-crystalline atomically flat metallic nanofilms are in fact quantum-engineered multiband superconductors. Here the multiband structure is dictated by the nanofilm thickness through the size quantization of the electron motion perpendicular to the nanofilm. This opens the unique possibility to explore superconductivity in well-controlled multi-band systems. However, a serious obstacle is the absence of a convenient and manageable theoretical tool to access new physical phenomena in such quasi-two-dimensional systems, including interplay of quantum confinement and fluctuations. Here we cover this gap and construct the appropriate multiband Ginzburg-Landau functional for nano-thin superconductors. Copyright (C) EPLA, 2013  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Paris Editor  
  Language Wos 000319617700019 Publication Date 2013-05-03  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0295-5075;1286-4854; ISBN Additional Links (up) UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.957 Times cited 8 Open Access  
  Notes ; This work was supported by the “Odysseus” Program of the Flemish Government and the Flemish Science Foundation (FWO-Vl). ; Approved Most recent IF: 1.957; 2013 IF: 2.269  
  Call Number UA @ lucian @ c:irua:109859 Serial 2257  
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Author Roland, M.; Serrano-Ortiz, P.; Kowalski, A.S.; Van Grieken, R.; Janssens, I.A.; et al. url  doi
openurl 
  Title Atmospheric turbulence triggers pronounced diel pattern in karst carbonate geochemistry Type A1 Journal article
  Year 2013 Publication Biogeosciences Abbreviated Journal  
  Volume 10 Issue 7 Pages 5009-5017  
  Keywords A1 Journal article; Plant and Ecosystems (PLECO) – Ecology in a time of change; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract CO2 exchange between terrestrial ecosystems and the atmosphere is key to understanding the feedbacks between climate change and the land surface. In regions with carbonaceous parent material, CO2 exchange patterns occur that cannot be explained by biological processes, such as disproportionate outgassing during the daytime or night-time CO2 uptake during periods when all vegetation is senescent. Neither of these phenomena can be attributed to carbonate weathering reactions, since their CO2 exchange rates are too small. Soil ventilation induced by high atmospheric turbulence is found to explain atypical CO2 exchange between carbonaceous systems and the atmosphere. However, by strongly altering subsurface CO2 concentrations, ventilation can be expected to influence carbonate weathering rates. By imposing ventilation-driven CO2 outgassing in a carbonate weathering model, we show here that carbonate geochemistry is accelerated and does play a surprisingly large role in the observed CO2 exchange pattern of a semi-arid ecosystem. We found that by rapidly depleting soil CO2 during the daytime, ventilation disturbs soil carbonate equilibria and therefore strongly magnifies daytime carbonate precipitation and associated CO2 production. At night, ventilation ceases and the depleted CO2 concentrations increase steadily. Dissolution of carbonate is now enhanced, which consumes CO2 and largely compensates for the enhanced daytime carbonate precipitation. This is why only a relatively small effect on global carbonate weathering rates is to be expected. On the short term, however, ventilation has a drastic effect on synoptic carbonate weathering rates, resulting in a pronounced diel pattern that exacerbates the non-biological behavior of soil-atmosphere CO2 exchanges in dry regions with carbonate soils.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000322242700039 Publication Date 2013-07-24  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1726-4170; 1726-4189 ISBN Additional Links (up) UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited Open Access  
  Notes Approved no  
  Call Number UA @ admin @ c:irua:109862 Serial 7533  
Permanent link to this record
 

 
Author Nuyts, G.; Cagno, S.; Hellemans, K.; Veronesi, G.; Cotte, M.; Janssens, K. url  doi
openurl 
  Title Study of the early stages of Mn intrusion in corroded glass by means of combined SR FTIR/\muXRF imaging and XANES spectroscopy Type P1 Proceeding
  Year 2013 Publication Procedia Chemistry T2 – Youth in Conservation of Cultural Heritage Conference (YOCOCU), June 18-20, 2012, University of Antwerp, Antwerp, Belgium Abbreviated Journal  
  Volume Issue Pages 239-247  
  Keywords P1 Proceeding; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract Historical glass, especially medieval glass, can undergo weathering under the influence of time and environmental conditions. The aim of this investigation was to better understand the processes involved in this natural degradation process by studying artificially altered glass samples prepared for the use of evaluation of conservation methods. Non-durable glass sensors produced by the Fraunhofer Institute (type M1.0) were used as a starting material for artificial alteration. These were immersed in acidic (pH = 0, 2, 4) and neutral solutions (1 h – 8 h). In a second stage the glass samples were immersed in a 0.5 M MnCl2 solution (24 h, 48 h and 72 h), allowing intrusion of Mn from the solution into the gel layer. The samples were characterized at different stages with reflectance FTIR spectroscopy, mu XRF mapping and mu XANES. All measurements were carried out at ESRF, beamline ID21. Reflectance FTIR spectroscopy measurements were performed in the 800 4000 cm(-1) range. Cluster analysis of the resulting maps evidenced the rapid growth of the gel layer in strong acidic conditions. The average spectra for each cluster feature show for the original glass a strong Si-O- stretching band between 900 and 1000 cm(-1), whereas the gel layer could be identified by the increasing Si-O-Si bands around 1100 and 1250 cm(-1). mu XRF maps were recorded at different stages of the experiment at energies around the Mn-K edge (6.539 keV) and with a step size of 2 by 2 m. These confirm the leaching of K+ and Ca+2 from the glass and the intrusion of Mn from the solution. Mn was found throughout the entire gel layer, but with a concentration gradient peaking at the surface. XANES point measurements were recorded at various points where Mn was present. No spatial variation was found, but linear combination fitting of the spectra with various Mn reference compounds indicated that Mn2+Mn23+O4 is the main Mn compound in the gel layer, as was hypothesised by Watkinson et al. The standard corroded glass samples studied here can be used for the evaluation of conservation treatments in follow-up experiments. (C) 2013 The Authors. Published by Elsevier B.V. Selection and peer-review under responsibility of the IA-CS (Italian Association of Conservation Scientists) and University of Antwerp  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000321673900030 Publication Date 2013-04-17  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume 8 Series Issue Edition  
  ISSN 1876-6196 ISBN Additional Links (up) UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited 4 Open Access  
  Notes ; This research was supported by the Interuniversity Attraction Poles Programme – Belgian Science Policy (IUAP VI/16). The text also presents results of GOA XANES “meets ELNES” (Research Fund University of Antwerp, Belgium) and from FWO (Brussels, Belgium) projects no. G.0704.08 and G.01769.09. We gratefully acknowledge ESRF for granting beamtime (experiment EC873). ; Approved Most recent IF: NA  
  Call Number UA @ admin @ c:irua:109871 Serial 5851  
Permanent link to this record
 

 
Author Goris, B.; de Backer, A.; Van Aert, S.; Gómez-Graña, S.; Liz-Marzán, L.M.; Van Tendeloo, G.; Bals, S. pdf  doi
openurl 
  Title Three-dimensional elemental mapping at the atomic scale in bimetallic nanocrystals Type A1 Journal article
  Year 2013 Publication Nano letters Abbreviated Journal Nano Lett  
  Volume 13 Issue 9 Pages 4236-4241  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract A thorough understanding of the three-dimensional (3D) atomic structure and composition of coreshell nanostructures is indispensable to obtain a deeper insight on their physical behavior. Such 3D information can be reconstructed from two-dimensional (2D) projection images using electron tomography. Recently, different electron tomography techniques have enabled the 3D characterization of a variety of nanostructures down to the atomic level. However, these methods have all focused on the investigation of nanomaterials containing only one type of chemical element. Here, we combine statistical parameter estimation theory with compressive sensing based tomography to determine the positions and atom type of each atom in heteronanostructures. The approach is applied here to investigate the interface in coreshell Au@Ag nanorods but it is of great interest in the investigation of a broad range of nanostructures.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Washington Editor  
  Language Wos 000330158900043 Publication Date 2013-08-16  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1530-6984;1530-6992; ISBN Additional Links (up) UA library record; WoS full record; WoS citing articles  
  Impact Factor 12.712 Times cited 90 Open Access  
  Notes FWO; 246791 COUNTATOMS; 267867 PLASMAQUO; 262348 ESMI; 312483 ESTEEM2; Hercules 3; esteem2_jra4 Approved Most recent IF: 12.712; 2013 IF: 12.940  
  Call Number UA @ lucian @ c:irua:110036 Serial 3650  
Permanent link to this record
 

 
Author Groeneveld, E.; Witteman, L.; Lefferts, M.; Ke, X.; Bals, S.; Van Tendeloo, G.; de Mello Donega, C. pdf  doi
openurl 
  Title Tailoring ZnSe-CdSe colloidal quantum dots via cation exchange : from core/shell to alloy nanocrystals Type A1 Journal article
  Year 2013 Publication ACS nano Abbreviated Journal Acs Nano  
  Volume 7 Issue 9 Pages 7913-7930  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract We report a study of Zn2+ by Cd2+ cation exchange (CE) in colloidal ZnSe nanocrystals (NCs). Our results reveal that CE in ZnSe NCs is a thermally activated isotropic process. The CE efficiency (i.e., fraction of Cd2+ ions originally in solution, Cdsol, that is incorporated in the ZnSe NC) increases with temperature and depends also on the Cdsol/ZnSe ratio. Interestingly, the reaction temperature can be used as a sensitive parameter to tailor both the composition and the elemental distribution profile of the product (Zn,Cd)Se NCs. At 150 °C ZnSe/CdSe core/shell hetero-NCs (HNCs) are obtained, while higher temperatures (200 and 220 °C) produce (Zn1xCdx)Se gradient alloy NCs, with increasingly smoother gradients as the temperature increases, until homogeneous alloy NCs are obtained at T ≥ 240 °C. Remarkably, sequential heating (150 °C followed by 220 °C) leads to ZnSe/CdSe core/shell HNCs with thicker shells, rather than (Zn1xCdx)Se gradient alloy NCs. Thermal treatment at 250 °C converts the ZnSe/CdSe core/shell HNCs into (Zn1xCdx)Se homogeneous alloy NCs, while preserving the NC shape. A mechanism for the cation exchange in ZnSe NCs is proposed, in which fast CE takes place at the NC surface, and is followed by relatively slower thermally activated solid-state cation diffusion, which is mediated by Frenkel defects. The findings presented here demonstrate that cation exchange in colloidal ZnSe NCs provides a very sensitive tool to tailor the nature and localization regime of the electron and hole wave functions and the optoelectronic properties of colloidal ZnSeCdSe NCs.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000330016900051 Publication Date 2013-08-13  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1936-0851;1936-086X; ISBN Additional Links (up) UA library record; WoS full record; WoS citing articles  
  Impact Factor 13.942 Times cited 153 Open Access  
  Notes 262348 Esmi; 246791 Countatoms Approved Most recent IF: 13.942; 2013 IF: 12.033  
  Call Number UA @ lucian @ c:irua:110038 Serial 3469  
Permanent link to this record
 

 
Author Kapra, A.V.; Misko, V.R.; Peeters, F.M. pdf  doi
openurl 
  Title Controlling magnetic flux motion by arrays of zigzag-arranged magnetic bars Type A1 Journal article
  Year 2013 Publication Superconductor science and technology Abbreviated Journal Supercond Sci Tech  
  Volume 26 Issue 2 Pages 025011-10  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Recent advances in manufacturing arrays of artificial pinning sites, i.e., antidots, blind holes and magnetic dots, allowed an effective control of magnetic flux in superconductors. An array of magnetic bars deposited on top of a superconducting film was shown to display different pinning regimes depending on the direction of the in-plane magnetization of the bars. Changing the sign of their magnetization results in changes in the induced magnetic pinning potentials. By numerically solving the time-dependent Ginzburg-Landau equations in a superconducting film with periodic arrays of zigzag-arranged magnetic bars, we revealed various flux dynamics regimes. In particular, we demonstrate flux pinning and flux flow, depending on the direction of the magnetization of the magnetic bars. Remarkably, the revealed different flux-motion regimes are associated with different mechanisms of vortex-antivortex dynamics. For example, we found that for an 'antiparallel' configuration of magnetic bars this dynamics involves a repeating vortex-antivortex generation and annihilation. We show that the depinning transition and the onset of flux flow can be manipulated by the magnetization of the bars and the geometry of the array. This provides an effective control of the depinning critical current that can be useful for possible fluxonics applications.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Bristol Editor  
  Language Wos 000313559300011 Publication Date 2012-12-20  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0953-2048;1361-6668; ISBN Additional Links (up) UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.878 Times cited 5 Open Access  
  Notes ; We acknowledge useful discussions with Denis Vodolazov and Alejandro Silhanek. This work was supported by the 'Odysseus' Program of the Flemish Government and the Flemish Science Foundation (FWO-Vl). ; Approved Most recent IF: 2.878; 2013 IF: 2.796  
  Call Number UA @ lucian @ c:irua:110080 Serial 505  
Permanent link to this record
 

 
Author Massobrio, C.; Djimbi, D.M.; Matsubara, M.; Scipioni, R.; Boero, M. doi  openurl
  Title Stability of Ge12C48 and Ge20C40 heterofullerenes : a first principles molecular dynamics study Type A1 Journal article
  Year 2013 Publication Chemical physics letters Abbreviated Journal Chem Phys Lett  
  Volume 556 Issue Pages 163-167  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract By using first-principles molecular dynamics, we address the issue of structural stability for the C-60 Ge-m(m) family of doped heterofullerenes through a set of calculations targeting C48Ge12 and C40Ge20. Three kinds of theoretical tools are employed: (a) static structural optimization, (b) a bonding analysis based on localized orbitals (Wannier wavefunctions and centers) and (c) first-principles molecular dynamics at finite temperature. This latter tool allows concluding that the segregated form of C40Ge20 is less stable than its Si-based counterpart. However, the non-segregated forms of C40Ge20 and C40Si20 have comparable stabilities at finite temperatures. (C) 2012 Elsevier B. V. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos 000313644100032 Publication Date 2012-11-28  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0009-2614; ISBN Additional Links (up) UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.815 Times cited 3 Open Access  
  Notes Approved Most recent IF: 1.815; 2013 IF: 1.991  
  Call Number UA @ lucian @ c:irua:110085 Serial 3132  
Permanent link to this record
 

 
Author Esfahani, D.N.; Covaci, L.; Peeters, F.M. url  doi
openurl 
  Title Field effect on surface states in a doped Mott-insulator thin film Type A1 Journal article
  Year 2013 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 87 Issue 3 Pages 035131-35136  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Surface effects of a doped thin film made of a strongly correlated material are investigated both in the absence and presence of a perpendicular electric field. We use an inhomogeneous Gutzwiller approximation for a single-band Hubbard model in order to describe correlation effects. For low doping, the bulk value of the quasiparticle weight is recovered exponentially deep into the slab, but with increasing doping, additional Friedel oscillations appear near the surface. We show that the inverse correlation length has a power-law dependence on the doping level. In the presence of an electrical field, considerable changes in the quasiparticle weight can be realized throughout the system. We observe a large difference (as large as five orders of magnitude) in the quasiparticle weight near the opposite sides of the slab. This effect can be significant in switching devices that use the surface states for transport. DOI: 10.1103/PhysRevB.87.035131  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000313941000001 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 (up) UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 4 Open Access  
  Notes ; This work was supported by the Flemish Science Foundation (FWO-VI). ; Approved Most recent IF: 3.836; 2013 IF: 3.664  
  Call Number UA @ lucian @ c:irua:110086 Serial 1190  
Permanent link to this record
 

 
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 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 (up) 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  
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 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 (up) 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 Carrillo-Nunez, H.; Magnus, W.; Vandenberghe, W.G.; Sorée, B.; Peeters, F.M. pdf  doi
openurl 
  Title Phonon-assisted Zener tunneling in a p-n diode silicon nanowire Type A1 Journal article
  Year 2013 Publication Solid state electronics Abbreviated Journal Solid State Electron  
  Volume 79 Issue Pages 196-200  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The Zener tunneling current flowing through a biased, abrupt p-n junction embedded in a cylindrical silicon nanowire is calculated. As the band gap becomes indirect for sufficiently thick wires, Zener tunneling and its related transitions between the valence and conduction bands are mediated by short-wavelength phonons interacting with mobile electrons. Therefore, not only the high electric field governing the electrons in the space-charge region but also the transverse acoustic (TA) and transverse optical (TO) phonons have to be incorporated in the expression for the tunneling current. The latter is also affected by carrier confinement in the radial direction and therefore we have solved the Schrodinger and Poisson equations self-consistently within the effective mass approximation for both conduction and valence band electrons. We predict that the tunneling current exhibits a pronounced dependence on the wire radius, particularly in the high-bias regime. (C) 2012 Elsevier Ltd. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Oxford Editor  
  Language Wos 000313611000037 Publication Date 2012-09-29  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0038-1101; ISBN Additional Links (up) UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.58 Times cited 2 Open Access  
  Notes ; This work is supported by the Flemish Science Foundation (FWO-VI), and the Interuniversity Attraction Poles, Belgium State, Belgium Science Policy, and IMEC. One of the authors (W. Vandenberghe) gratefully acknowledges the support of a Ph.D. stipend from the Institute for the Promotion of Innovation through Science and Technology in Flanders (IWT-Vlaanderen). ; Approved Most recent IF: 1.58; 2013 IF: 1.514  
  Call Number UA @ lucian @ c:irua:110104 Serial 2600  
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Author Scalise, E.; Houssa, M.; Pourtois, G.; van den Broek, B.; Afanas'ev, V.; Stesmans, A. doi  openurl
  Title Vibrational properties of silicene and germanene Type A1 Journal article
  Year 2013 Publication Nano Research Abbreviated Journal Nano Res  
  Volume 6 Issue 1 Pages 19-28  
  Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract The structural and vibrational properties of two-dimensional hexagonal silicon (silicene) and germanium (germanene) are investigated by means of first-principles calculations. It is predict that the silicene (germanene) structure with a small buckling of 0.44 (0.7 ) and bond lengths of 2.28 (2.44 ) is energetically the most favorable, and it does not exhibit imaginary phonon mode. The calculated non-resonance Raman spectra of silicene is characterized by a main peak at about 575 cm(-1), namely the G-like peak. For germanene, the highest peak is at about 290 cm(-1). Extensive calculations on armchair silicene nanoribbons and armchair germanene nanoribbons are also performed, with and without hydrogenation of the edges. The studies reveal other Raman peaks mainly distributed at lower frequencies than the G-like peak which could be attributed to the defects at the edges of the ribbons, thus not present in the Raman spectra of non-defective silicene and germanene. Particularly the Raman peak corresponding to the D mode is found to be located at around 515 cm(-1) for silicene and 270 cm(-1) for germanene. The calculated G-like and the D peaks are likely the fingerprints of the Raman spectra of the low-buckled structures of silicene and germanene.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000313658800003 Publication Date 2012-12-17  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1998-0124;1998-0000; ISBN Additional Links (up) UA library record; WoS full record; WoS citing articles  
  Impact Factor 7.354 Times cited 105 Open Access  
  Notes Approved Most recent IF: 7.354; 2013 IF: 6.963  
  Call Number UA @ lucian @ c:irua:110106 Serial 3846  
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Author Xiao, Y.M.; Xu, W.; Zhang, Y.Y.; Peeters, F.M. url  doi
openurl 
  Title Optoelectronic properties of ABC-stacked trilayer graphene Type A1 Journal article
  Year 2013 Publication Physica status solidi: B: basic research Abbreviated Journal Phys Status Solidi B  
  Volume 250 Issue 1 Pages 86-94  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We present a theoretical study on the optoelectronic properties of ABC-stacked trilayer graphene (TLG). The optical conductance and light transmittance are evaluated through using the energy-balance equation derived from the Boltzmann equation for an air/graphene/dielectric-wafer system in the presence of linearly polarized radiation field. The results obtained from two band structure models are examined and compared. For short wavelength radiation, the universal optical conductance sigma(0) = 3e(2)/(4h) can be obtained. Importantly, there exists an optical absorption window in the radiation wavelength range 10-200 mu m, which is induced by different transition energies required for inter- and intra-band optical absorption channels. As a result, we find that the position and width of this window depend sensitively on temperature and carrier density of the system, especially the lower frequency edge. There is a small characteristic absorption peak at about 82 mu m where the largest interband transition states exist in the ABC-stacked TLG model, in contrast to the relatively smooth curves in a simplified model. These theoretical results indicate that TLG has some interesting and important physical properties which can be utilized to realize infrared or THz optoelectronic devices.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Berlin Editor  
  Language Wos 000313347500011 Publication Date 2012-08-08  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0370-1972; ISBN Additional Links (up) UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.674 Times cited 6 Open Access  
  Notes ; This work was supported by the National Natural Science Foundation of China (grant no. 10974206), Department of Science and Technology of Yunnan Province, and by the Chinese Academy of Sciences. One of us (F.M.P.) was a Specially Appointed Foreign Professor of the Chinese Academy of Sciences. ; Approved Most recent IF: 1.674; 2013 IF: 1.605  
  Call Number UA @ lucian @ c:irua:110109 Serial 2495  
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