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Author de Keyser, A.; Bogaerts, R.; van Bockstal, L.; Hoeks, W.; Herlach, F.; Karavolas, V.C.; Peeters, F.M.; van de Graaf, W.; Borghs, G. doi  openurl
  Title Magnetotransport properties of Si-δ-doped InSb layers grown on GaAs Type A1 Journal article
  Year 1995 Publication Physica: B : condensed matter Abbreviated Journal Physica B  
  Volume 211 Issue Pages 455-457  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos A1995RD54400118 Publication Date 2003-05-01  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0921-4526; ISBN Additional Links (up) UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.319 Times cited 2 Open Access  
  Notes Approved no  
  Call Number UA @ lucian @ c:irua:12210 Serial 1936  
Permanent link to this record
 

 
Author Shi, J.M.; Peeters, F.M.; Devreese, J.T. doi  openurl
  Title Magneto-polaron effect on shallow donors in bulk GaAs and on D0 and D- in GaAs/AlGaAs superlattices Type A1 Journal article
  Year 1995 Publication Physica: B : condensed matter Abbreviated Journal Physica B  
  Volume 204 Issue Pages 344-352  
  Keywords A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos A1995QE89500051 Publication Date 2003-05-01  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0921-4526; ISBN Additional Links (up) UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.319 Times cited 3 Open Access  
  Notes Approved no  
  Call Number UA @ lucian @ c:irua:12211 Serial 1909  
Permanent link to this record
 

 
Author Becker, T.; Nelissen, K.; Cleuren, B.; Partoens, B.; Van den Broeck, C. url  doi
openurl 
  Title Diffusion of interacting particles in discrete geometries: Equilibrium and dynamical properties Type A1 Journal article
  Year 2014 Publication Physical review : E : statistical, nonlinear, and soft matter physics Abbreviated Journal Phys Rev E  
  Volume 90 Issue 5 Pages 052139  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We expand on a recent study of a lattice model of interacting particles [Phys. Rev. Lett. 111, 110601 (2013)]. The adsorption isotherm and equilibrium fluctuations in particle number are discussed as a function of the interaction. Their behavior is similar to that of interacting particles in porous materials. Different expressions for the particle jump rates are derived from transition-state theory. Which expression should be used depends on the strength of the interparticle interactions. Analytical expressions for the self-and transport diffusion are derived when correlations, caused by memory effects in the environment, are neglected. The diffusive behavior is studied numerically with kinetic Monte Carlo (kMC) simulations, which reproduces the diffusion including correlations. The effect of correlations is studied by comparing the analytical expressions with the kMC simulations. It is found that the Maxwell-Stefan diffusion can exceed the self-diffusion. To our knowledge, this is the first time this is observed. The diffusive behavior in one-dimensional and higher-dimensional systems is qualitatively the same, with the effect of correlations decreasing for increasing dimension. The length dependence of both the self-and transport diffusion is studied for one-dimensional systems. For long lengths the self-diffusion shows a 1/L dependence. Finally, we discuss when agreement with experiments and simulations can be expected. The assumption that particles in different cavities do not interact is expected to hold quantitatively at low and medium particle concentrations if the particles are not strongly interacting.  
  Address  
  Corporate Author Thesis  
  Publisher American Institute of Physics Place of Publication Woodbury (NY) Editor  
  Language Wos 000345251500004 Publication Date 2014-12-04  
  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 8 Open Access  
  Notes ; This work was supported by the Flemish Science Foundation (Fonds Wetenschappelijk Onderzoek), Project No. G.0388.11. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center), funded by the Hercules Foundation and the Flemish Government, Department EWI. ; Approved Most recent IF: 2.366; 2014 IF: 2.288  
  Call Number UA @ lucian @ c:irua:122134 Serial 700  
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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 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 (up) 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  
Permanent link to this record
 

 
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 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 (up) 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 Magnus, W.; Nelissen, K. pdf  doi
openurl 
  Title Quantum diffusion: A simple, exactly solvable model Type A1 Journal article
  Year 2015 Publication Physica: A : theoretical and statistical physics Abbreviated Journal Physica A  
  Volume 417 Issue 417 Pages 96-101  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We propose a simple quantum mechanical model describing the time dependent diffusion current between two fermion reservoirs that were initially disconnected and characterized by different densities or chemical potentials. The exact, analytical solution of the model yields the transient behavior of the coupled fermion systems evolving to a final steady state, whereas the long-time behavior is determined by a power law rather than by exponential decay. Similar results are obtained for the entropy production which is proportional to the diffusion current. (C) 2014 Elsevier B.V. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos 000345721800011 Publication Date 2014-09-28  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0378-4371; ISBN Additional Links (up) UA library record; WoS full record  
  Impact Factor 2.243 Times cited Open Access  
  Notes ; ; Approved Most recent IF: 2.243; 2015 IF: 1.732  
  Call Number c:irua:122170 Serial 2777  
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Author Çakir, D.; Otalvaro, D.M.; Brocks, G. url  doi
openurl 
  Title Magnetoresistance in multilayer fullerene spin valves: A first-principles study Type A1 Journal article
  Year 2014 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 90 Issue 24 Pages 245404  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Carbon-based molecular semiconductors are explored for application in spintronics because their small spinorbit coupling promises long spin lifetimes. We calculate the electronic transport from first principles through spin valves comprising bi-and tri-layers of the fullerene molecules C-60 and C-70, sandwiched between two Fe electrodes. The spin polarization of the current, and the magnetoresistance depend sensitively on the interactions at the interfaces between the molecules and the metal surfaces. They are much less affected by the thickness of the molecular layers. A high current polarization (CP > 90%) and magnetoresistance (MR > 100%) at small bias can be attained using C-70 layers. In contrast, the current polarization and the magnetoresistance at small bias are vanishingly small for C-60 layers. Exploiting a generalized Julliere model we can trace the differences in spin-dependent transport between C-60 and C-70 layers to differences between the molecule-metal interface states. These states also allow one to interpret the current polarization and the magnetoresistance as a function of the applied bias voltage.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000345875200005 Publication Date 2014-12-02  
  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 ; ; Approved Most recent IF: 3.836; 2014 IF: 3.736  
  Call Number UA @ lucian @ c:irua:122177 Serial 1928  
Permanent link to this record
 

 
Author Toledano-Luque, M.; Matagne, P.; Sibaja-Hernandez, A.; Chiarella, T.; Ragnarsson, L.-A.; Sorée, B.; Cho, M.; Mocuta, A.; Thean, A. doi  openurl
  Title Superior reliability of junctionless pFinFETs by reduced oxide electric field Type A1 Journal article
  Year 2014 Publication IEEE electron device letters Abbreviated Journal Ieee Electr Device L  
  Volume 35 Issue 12 Pages 1179-1181  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Superior reliability of junctionless (JL) compared with inversion-mode field-effect transistors (FETs) is experimentally demonstrated on bulk FinFET wafers. The reduced negative bias temperature instability (NBTI) of JL pFETs outperforms the previously reported best NBTI reliability data obtained with Si channel devices and guarantees 10-year lifetime at typical operating voltages and high temperature. This behavior is understood through the reduced oxide electric field and lessened interaction between charge carriers and oxide traps during device operation. These findings encourage the investigation of JL devices with alternative channels as a promising alternative for 7-nm technology nodes meeting reliability targets.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000345575400006 Publication Date 2014-10-21  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0741-3106;1558-0563; ISBN Additional Links (up) UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.048 Times cited 13 Open Access  
  Notes ; This work was supported by the imec's Core Partner Program. The review of this letter was arranged by Editor J. Schmitz. ; Approved Most recent IF: 3.048; 2014 IF: 2.754  
  Call Number UA @ lucian @ c:irua:122192 Serial 3378  
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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 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 (up) 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 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 (up) 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 Sarmadian, N.; Saniz, R.; Partoens, B.; Lamoen, D. url  doi
openurl 
  Title Ab initio study of shallow acceptors in bixbyite V2O3 Type A1 Journal article
  Year 2015 Publication Journal of applied physics Abbreviated Journal J Appl Phys  
  Volume 117 Issue 117 Pages 015703  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)  
  Abstract We present the results of our study on p-type dopability of bixbyite V2O3 using the Heyd, Scuseria, and Ernzerhof hybrid functional (HSE06) within the density functional theory (DFT) formalism. We study vanadium and oxygen vacancies as intrinsic defects and substitutional Mg, Sc, and Y as extrinsic defects. We find that Mg substituting V acts as a shallow acceptor, and that oxygen vacancies are electrically neutral. Hence, we predict Mg-doped V2O3 to be a p-type conductor. Our results also show that vanadium vacancies are relatively shallow, with a binding energy of 0.14 eV, so that they might also lead to p-type conductivity.  
  Address  
  Corporate Author Thesis  
  Publisher American Institute of Physics Place of Publication New York, N.Y. Editor  
  Language Wos 000347958600067 Publication Date 2015-01-05  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0021-8979;1089-7550; ISBN Additional Links (up) UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.068 Times cited 3 Open Access  
  Notes FWO G015013; Hercules Approved Most recent IF: 2.068; 2015 IF: 2.183  
  Call Number c:irua:122728 Serial 35  
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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 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 (up) 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 Miglio, A.; Saniz, R.; Waroquiers, D.; Stankovski, M.; Giantomassi, M.; Hautier, G.; Rignanese, G.-M.; Gonze, X. pdf  doi
openurl 
  Title Computed electronic and optical properties of SnO2 under compressive stress Type A1 Journal article
  Year 2014 Publication Optical materials Abbreviated Journal Opt Mater  
  Volume 38 Issue Pages 161-166  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We consider the effects of three different types of applied compressive stress on the structural, electronic and optical properties of rutile SnO2. We use standard density functional theory (OFT) to determine the structural parameters. The effective masses and the electronic band gap, as well as their stress derivatives, are computed within both DFT and many-body perturbation theory (MBPT). The stress derivatives for the SnO2 direct band gap are determined to be 62, 38 and 25 meV/GPa within MBPT for applied hydrostatic, biaxial and uniaxial stress, respectively. Compared to DFT, this is a clear improvement with respect to available experimental data. We also estimate the exciton binding energies and their stress coefficients and compute the absorption spectrum by solving the Bethe-Salpeter equation. (C) 2014 Elsevier B.V. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos 000346228800028 Publication Date 2014-11-08  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0925-3467; ISBN Additional Links (up) UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.238 Times cited 6 Open Access  
  Notes ; This work was supported by the FRS-FNRS through a FRIA grant (D.W.) and a FNRS grant (G.H.). This work was also supported by the IWT Project Number 080023 (ISIMADE), the Region Wallonne through WALL-ETSF project Number 816849, the EU-FP7 HT4TCOS Grant No. PCIG11-GA-2912-321988, the FRS-FNRS through contracts FRFC Number 2.4.589.09.F and AIXPHO (PDR Grant T-0238.13). The authors would like to thank Yann Pouillon and Jean-Michel Beuken for their valuable technical support and help with the test and build system of ABINIT. Computational resources have been provided by the supercomputing facilities of the Universite catholique de Louvain (CISM/UCL) and the Consortium des Equipements de Calcul Intensif en Federation Wallonie Bruxelles (CECI) funded by the Fonds de la Recherche Scientifique de Belgique (FRS-FNRS) under Grant No. 2.5020.11. ; Approved Most recent IF: 2.238; 2014 IF: 1.981  
  Call Number UA @ lucian @ c:irua:122747 Serial 460  
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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 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 (up) 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 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 (up) 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 Becker, T.; Nelissen, K.; Cleuren, B.; Partoens, B.; Van den Broeck, C. url  doi
openurl 
  Title Adsorption and desorption in confined geometries : a discrete hopping model Type A1 Journal article
  Year 2014 Publication The European physical journal. Special topics Abbreviated Journal Eur Phys J-Spec Top  
  Volume 223 Issue 14 Pages 3243-3256  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We study the adsorption and desorption kinetics of interacting particles moving on a one-dimensional lattice. Confinement is introduced by limiting the number of particles on a lattice site. Adsorption and desorption are found to proceed at different rates, and are strongly influenced by the concentration-dependent transport diffusion. Analytical solutions for the transport and self-diffusion are given for systems of length 1 and 2 and for a zero-range process. In the last situation the self- and transport diffusion can be calculated analytically for any length.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000346416400015 Publication Date 2014-12-15  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1951-6355;1951-6401; ISBN Additional Links (up) UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.862 Times cited 4 Open Access  
  Notes ; This work was supported by the Flemish Science Foundation (FWO-Vlaanderen). The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center), funded by the Hercules Foundation and the Flemish Government – department EWI. ; Approved Most recent IF: 1.862; 2014 IF: 1.399  
  Call Number UA @ lucian @ c:irua:122779 Serial 61  
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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 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 (up) 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 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 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 (up) 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 Verreck, D.; Verhulst, A.S.; Sorée, B.; Collaert, N.; Mocuta, A.; Thean, A.; Groeseneken, G. doi  openurl
  Title Improved source design for p-type tunnel field-effect transistors : towards truly complementary logic Type A1 Journal article
  Year 2014 Publication Applied physics letters Abbreviated Journal Appl Phys Lett  
  Volume 105 Issue 24 Pages 243506  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Complementary logic based on tunnel field-effect transistors (TFETs) would drastically reduce power consumption thanks to the TFET's potential to obtain a sub-60 mV/dec subthreshold swing (SS). However, p-type TFETs typically do not meet the performance of n-TFETs for direct bandgap III-V configurations. The p-TFET SS stays well above 60 mV/dec, due to the low density of states in the conduction band. We therefore propose a source configuration in which a highly doped region is maintained only near the tunnel junction. In the remaining part of the source, the hot carriers in the exponential tail of the Fermi-Dirac distribution are blocked by reducing the doping degeneracy, either with a source section with a lower doping concentration or with a heterostructure. We apply this concept to n-p-i-p configurations consisting of In0.53Ga0.47As and an InP-InAs heterostructure. 15-band quantum mechanical simulations predict that the configurations with our source design can obtain sub-60 mV/dec SS, with an on-current comparable to the conventional source design. (C) 2014 AIP Publishing LLC.  
  Address  
  Corporate Author Thesis  
  Publisher American Institute of Physics Place of Publication New York, N.Y. Editor  
  Language Wos 000346643600076 Publication Date 2014-12-17  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0003-6951;1077-3118; ISBN Additional Links (up) UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.411 Times cited 10 Open Access  
  Notes ; D. Verreck acknowledges the support of a Ph.D. stipend from the Institute for the Promotion of Innovation through Science and Technology in Flanders (IWT-Vlaanderen). This work was supported by imec's Industrial Affiliation Program. ; Approved Most recent IF: 3.411; 2014 IF: 3.302  
  Call Number UA @ lucian @ c:irua:122798 Serial 1568  
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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 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 (up) 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 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 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 (up) 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 Amini, M.N.; Saniz, R.; Lamoen, D.; Partoens, B. pdf  url
doi  openurl
  Title The role of the VZn-NO-H complex in the p-type conductivity in ZnO Type A1 Journal article
  Year 2015 Publication Physical chemistry, chemical physics Abbreviated Journal Phys Chem Chem Phys  
  Volume 17 Issue 17 Pages 5485-5489  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)  
  Abstract Past research efforts aiming at obtaining stable p-type ZnO have been based on complexes involving nitrogen doping. A recent experiment by (J. G. Reynolds et al., Appl. Phys. Lett., 2013, 102, 152114) demonstrated a significant ([similar]1018 cm−3) p-type behavior in N-doped ZnO films after appropriate annealing. The p-type conductivity was attributed to a VZnNOH shallow acceptor complex, formed by a Zn vacancy (VZn), N substituting O (NO), and H interstitial (Hi). We present here a first-principles hybrid functional study of this complex compared to the one without hydrogen. Our results confirm that the VZnNOH complex acts as an acceptor in ZnO. We find that H plays an important role, because it lowers the formation energy of the complex with respect to VZnNO, a complex known to exhibit (unstable) p-type behavior. However, this additional H atom also occupies the hole level at the origin of the shallow behavior of VZnNO, leaving only two states empty higher in the band gap and making the VZnNOH complex a deep acceptor. Therefore, we conclude that the cause of the observed p-type conductivity in experiment is not the presence of the VZnNOH complex, but probably the formation of the VZnNO complex during the annealing process.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Cambridge Editor  
  Language Wos 000349616400080 Publication Date 2015-01-20  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1463-9076;1463-9084; ISBN Additional Links (up) UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.123 Times cited 20 Open Access  
  Notes FWO G021614N; FWO G015013; FWO G018914N; GOA; Hercules Approved Most recent IF: 4.123; 2015 IF: 4.493  
  Call Number c:irua:123218 Serial 3592  
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Author Brammertz, G.; Oueslati, S.; Buffiere, M.; Bekaert, J.; El Anzeery, H.; Messaoud, K.B.; Sahayaraj, S.; Nuytten, T.; Koble, C.; Meuris, M.; Poortmans, J.; url  doi
openurl 
  Title Investigation of properties limiting efficiency in Cu2ZnSnSe4-based solar cells Type A1 Journal article
  Year 2015 Publication IEEE journal of photovoltaics Abbreviated Journal Ieee J Photovolt  
  Volume 5 Issue 5 Pages 649-655  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract We have investigated different nonidealities in Cu2ZnSnSe4CdSZnO solar cells with 9.7% conversion efficiency, in order to determine what is limiting the efficiency of these devices. Several nonidealities could be observed. A barrier of about 300 meV is present for electron flow at the absorberbuffer heterojunction leading to a strong crossover behavior between dark and illuminated currentvoltage curves. In addition, a barrier of about 130 meV is present at the Moabsorber contact, which could be reduced to 15 meV by inclusion of a TiN interlayer. Admittance spectroscopy results on the devices with the TiN backside contact show a defect level with an activation energy of 170 meV. Using all parameters extracted by the different characterization methods for simulations of the two-diode model including injection and recombination currents, we come to the conclusion that our devices are limited by the large recombination current in the depletion region. Potential fluctuations are present in the devices as well, but they do not seem to have a special degrading effect on the devices, besides a probable reduction in minority carrier lifetime through enhanced recombination through the band tail defects.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000353524800026 Publication Date 2014-12-19  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2156-3381;2156-3403; ISBN Additional Links (up) UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.712 Times cited 13 Open Access  
  Notes ; ; Approved Most recent IF: 3.712; 2015 IF: 3.165  
  Call Number c:irua:123717 Serial 1734  
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Author Duarte-Neto, P.; Stosic, B.; Stosic, T.; Lessa, R.; Milošević, M.V.; Stanley, H.E. url  doi
openurl 
  Title Multifractal properties of a closed contour : a peek beyond the shape analysis Type A1 Journal article
  Year 2014 Publication PLoS ONE Abbreviated Journal Plos One  
  Volume 9 Issue 12 Pages e115262  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract In recent decades multifractal analysis has been successfully applied to characterize the complex temporal and spatial organization of such diverse natural phenomena as heartbeat dynamics, the dendritic shape of neurons, retinal vessels, rock fractures, and intricately shaped volcanic ash particles. The characterization of multifractal properties of closed contours has remained elusive because applying traditional methods to their quasi-one-dimensional nature yields ambiguous answers. Here we show that multifractal analysis can reveal meaningful and sometimes unexpected information about natural structures with a perimeter well-defined by a closed contour. To this end, we demonstrate how to apply multifractal detrended fluctuation analysis, originally developed for the analysis of time series, to an arbitrary shape of a given study object. In particular, we show the application of the method to fish otoliths, calcareous concretions located in fish's inner ear. Frequently referred to as the fish's “black box”, they contain a wealth of information about the fish's life history and thus have recently attracted increasing attention. As an illustrative example, we show that a multifractal approach can uncover unexpected relationships between otolith contours and size and age of fish at maturity.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000347239900030 Publication Date 2014-12-26  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1932-6203; ISBN Additional Links (up) UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.806 Times cited 6 Open Access  
  Notes ; Funding: This work was supported by CNPq, Brazil (Projects No. 201506/2011-4, No. 303251/2010-7, and No. 306719/2012-6). MVM acknowledges support from Flemish Science Foundation (FWO-Vlaanderen) and CAPES PVE action No. BEX1392/ 11-5. The funders had no role in study design, data collection and analysis, decision to publish, or preparation of the manuscript. ; Approved Most recent IF: 2.806; 2014 IF: 3.234  
  Call Number UA @ lucian @ c:irua:123770 Serial 2218  
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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 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 (up) 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 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 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 (up) 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 Zhang, L.-F.; Covaci, L.; Peeters, F.M. url  doi
openurl 
  Title Tomasch effect in nanoscale superconductors Type A1 Journal article
  Year 2015 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 91 Issue 91 Pages 024508  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The Tomasch effect (TE) is due to quasiparticle interference (QPI) as induced by a nonuniform superconducting order parameter, which results in oscillations in the density of states (DOS) at energies above the superconducting gap. Quantum confinement in nanoscale superconductors leads to an inhomogenerous distribution of the Cooperpair condensate, which, as we found, triggers the manifestation of a new TE. We investigate the electronic structure of nanoscale superconductors by solving the Bogoliubov-de Gennes (BdG) equations self-consistently and describe the TE determined by two types of processes, involving two-or three-subband QPIs. Both types of QPIs result in additional BCS-like Bogoliubov-quasiparticles and BCS-like energy gaps leading to oscillations in the DOS and modulated wave patterns in the local density of states. These effects are strongly related to the symmetries of the system. A reduced 4 x 4 inter-subband BdG Hamiltonian is established in order to describe analytically the TE of two-subband QPIs. Our study is relevant to nanoscale superconductors, either nanowires or thin films, Bose-Einsten condensates, and confined systems such as two-dimensional electron gas interface superconductivity.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Lancaster, Pa Editor  
  Language Wos 000348473700003 Publication Date 2015-01-16  
  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 6 Open Access  
  Notes ; This work was supported by the Flemish Science Foundation (FWO-Vlaanderen) and the Methusalem funding of the Flemish Government. ; Approved Most recent IF: 3.836; 2015 IF: 3.736  
  Call Number c:irua:123864 Serial 3670  
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Author Schoelz, J.K.; Xu, P.; Meunier, V.; Kumar, P.; Neek-Amal, M.; Thibado, P.M.; Peeters, F.M. url  doi
openurl 
  Title Graphene ripples as a realization of a two-dimensional Ising model : a scanning tunneling microscope study Type A1 Journal article
  Year 2015 Publication Physical review: B: condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 91 Issue 91 Pages 045413  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Ripples in pristine freestanding graphene naturally orient themselves in an array that is alternately curved-up and curved-down; maintaining an average height of zero. Using scanning tunneling microscopy (STM) to apply a local force, the graphene sheet will reversibly rise and fall in height until the height reaches 60%-70% of its maximum at which point a sudden, permanent jump occurs. We successfully model the ripples as a spin-half Ising magnetic system, where the height of the graphene plays the role of the spin. The permanent jump in height, controlled by the tunneling current, is found to be equivalent to an antiferromagnetic-to-ferromagnetic phase transition. The thermal load underneath the STM tip alters the local tension and is identified as the responsible mechanism for the phase transition. Four universal critical exponents are measured from our STM data, and the model provides insight into the statistical role of graphene's unusual negative thermal expansion coefficient.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Lancaster, Pa Editor  
  Language Wos 000348762200011 Publication Date 2015-01-12  
  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 21 Open Access  
  Notes ; This work was supported in part by Office of Naval Research (USA) under Grant No. N00014-10-1-0181 and National Science Foundation (USA) under Grant No. DMR-0855358. F. M. Peeters and M. Neek-Amal were supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem Foundation of the Flemish Government. ; Approved Most recent IF: 3.836; 2015 IF: 3.736  
  Call Number c:irua:123866 Serial 1377  
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Author Van Boxem, R.; Partoens, B.; Verbeeck, J. url  doi
openurl 
  Title Inelastic electron-vortex-beam scattering Type A1 Journal article
  Year 2015 Publication Physical review : A : atomic, molecular and optical physics Abbreviated Journal Phys Rev A  
  Volume 91 Issue 91 Pages 032703  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)  
  Abstract Recent theoretical and experimental developments in the field of electron-vortex-beam physics have raised questions about what exactly this novelty in the field of electron microscopy (and other fields, such as particle physics) really provides. An important part of the answer to these questions lies in scattering theory. The present investigation explores various aspects of inelastic quantum scattering theory for cylindrically symmetric beams with orbital angular momentum. The model system of Coulomb scattering on a hydrogen atom provides the setting to address various open questions: How is momentum transferred? Do vortex beams selectively excite atoms, and how can one employ vortex beams to detect magnetic transitions? The analytical approach presented here provides answers to these questions. OAM transfer is possible, but not through selective excitation; rather, by pre- and postselection one can filter out the relevant contributions to a specific signal.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Lancaster, Pa Editor  
  Language Wos 000351035000004 Publication Date 2015-03-16  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1050-2947;1094-1622; ISBN Additional Links (up) UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.925 Times cited 31 Open Access  
  Notes Fwo; 312483 Esteem2; 278510 Vortex; esteem2jra3 ECASJO; Approved Most recent IF: 2.925; 2015 IF: 2.808  
  Call Number c:irua:123925 c:irua:123925UA @ admin @ c:irua:123925 Serial 1607  
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Author Kuopanportti, P.; Orlova, N.V.; Milošević, M.V. url  doi
openurl 
  Title Ground-state multiquantum vortices in rotating two-species superfluids Type A1 Journal article
  Year 2015 Publication Physical review : A : atomic, molecular and optical physics Abbreviated Journal Phys Rev A  
  Volume 91 Issue 91 Pages 043605  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We show numerically that a rotating, harmonically trapped mixture of two Bose-Einstein-condensed superfluids cancontrary to its single-species counterpartcontain a multiply quantized vortex in the ground state of the system. This giant vortex can occur without any accompanying single-quantum vortices, may either be coreless or have an empty core, and can be realized in a Rb87−K41 Bose-Einstein condensate. Our results not only provide a rare example of a stable, solitary multiquantum vortex but also reveal exotic physics stemming from the coexistence of multiple, compositionally distinct condensates in one system.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Lancaster, Pa Editor  
  Language Wos 000352255200005 Publication Date 2015-04-07  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1050-2947;1094-1622; ISBN Additional Links (up) UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.925 Times cited 25 Open Access  
  Notes ; This work was supported by the Finnish Cultural Foundation, the Research Foundation – Flanders (FWO), and the Magnus Ehrnrooth Foundation. We thank E. Ruokokoski and T. P. Simula for valuable comments and discussions. ; Approved Most recent IF: 2.925; 2015 IF: 2.808  
  Call Number c:irua:124906 Serial 1388  
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