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Author Kapra, A.V.; Vodolazov, D.Y.; Misko, V.R. url  doi
openurl 
  Title Vortex transport in a channel with periodic constrictions Type A1 Journal article
  Year (up) 2013 Publication Superconductor science and technology Abbreviated Journal Supercond Sci Tech  
  Volume 26 Issue 9 Pages 095010-95011  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract By numerically solving the time-dependent Ginzburg-Landau equations in a type-II superconductor, characterized by a critical temperature T-c1, and the coherence length xi(1), with a channel formed by overlapping rhombuses (diamond-like channel) made of another type-II superconductor, characterized, in general, by different T-c2 and xi(2), we investigate the dynamics of driven vortex matter for varying parameters of the channel: the width of the neck connecting the diamond cells, the cell geometry, and the ratio between the coherence lengths in the bank and the channel. We analyzed samples with periodic boundary conditions (which we call 'infinite' samples) and finite-size samples (with boundaries for vortex entry/exit), and we found that by tuning the channel parameters, one can manipulate the vortex dynamics, e.g., change the transition from flux-pinned to flux-flow regime and tune the slope of the IV-curves. In addition, we analyzed the effect of interstitial vortices on these characteristics. The critical current of this device was studied as a function of the applied magnetic field, j(c)(H). The function j(c)(H) reveals a striking commensurability peak, in agreement with recent experimental observations. The obtained results suggest that the diamond channel, which combines the properties of pinning arrays and flux-guiding channels, can be a promising candidate for potential use in devices controlling magnetic flux motion.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Bristol Editor  
  Language Wos 000323073800016 Publication Date 2013-07-30  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0953-2048;1361-6668; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.878 Times cited 2 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: 2.878; 2013 IF: 2.796  
  Call Number UA @ lucian @ c:irua:110737 Serial 3898  
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Author Sels, D.; Brosens, F.; Magnus, W. doi  openurl
  Title Wigner distribution functions for complex dynamical systems : a path integral approach Type A1 Journal article
  Year (up) 2013 Publication Physica: A : theoretical and statistical physics Abbreviated Journal Physica A  
  Volume 392 Issue 2 Pages 326-335  
  Keywords A1 Journal article; Theory of quantum systems and complex systems; Condensed Matter Theory (CMT)  
  Abstract Starting from Feynmans Lagrangian description of quantum mechanics, we propose a method to construct explicitly the propagator for the Wigner distribution function of a single system. For general quadratic Lagrangians, only the classical phase space trajectory is found to contribute to the propagator. Inspired by Feynmans and Vernons influence functional theory we extend the method to calculate the propagator for the reduced Wigner function of a system of interest coupled to an external system. Explicit expressions are obtained when the external system consists of a set of independent harmonic oscillators. As an example we calculate the propagator for the reduced Wigner function associated with the CaldeiraLegett model.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos 000311135200004 Publication Date 2012-09-14  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0378-4371; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.243 Times cited 9 Open Access  
  Notes ; ; Approved Most recent IF: 2.243; 2013 IF: 1.722  
  Call Number UA @ lucian @ c:irua:101414 Serial 3921  
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Author Krstajić, P.M.; Van Duppen, B.; Peeters, F.M. url  doi
openurl 
  Title Plasmons and their interaction with electrons in trilayer graphene Type A1 Journal article
  Year (up) 2013 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 88 Issue 19 Pages 195423  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The interaction between electrons and plasmons in trilayer graphene is investigated within the Overhauser approach resulting in the “plasmaron” quasiparticle. This interaction is cast into a field theoretical problem, and its effect on the energy spectrum is calculated using improved Wigner-Brillouin perturbation theory. The plasmaron spectrum is shifted with respect to the bare electron spectrum by ΔE(k)∼150−200meV for ABC stacked trilayer graphene and for ABA trilayer graphene by ΔE(k)∼30−150 meV[ ΔE(k) ∼1 −5meV] for the hyperbolic (linear) part of the spectrum. The shift in general increases with the electron concentration and electron momentum. The dispersion of plasmarons is more pronounced in ABC stacked than in ABA stacked trilayer graphene, because of the different energy band structure and their different plasmon dispersion.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000327239200003 Publication Date 2013-11-21  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1098-0121 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 10 Open Access  
  Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl), by the ESF-EuroGRAPHENE project CON-GRAN, and by the Serbian Ministry of Education and Science, within the Project No. TR 32008. ; Approved Most recent IF: 3.836; 2013 IF: 3.664  
  Call Number CMT @ cmt @ c:irua:112702 Serial 4489  
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Author Lawson, N.C.; Janyavula, S.; Çakir, D.; Burgess, J.O. pdf  doi
openurl 
  Title An analysis of the physiologic parameters of intraoral wear: a review Type A1 Journal article
  Year (up) 2013 Publication Journal Of Physics D-Applied Physics Abbreviated Journal J Phys D Appl Phys  
  Volume 46 Issue 40 Pages Unsp 404007  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract This paper reviews the conditions of in vivo mastication and describes a novel method of measuring in vitro wear. Methods: parameters of intraoral wear are reviewed in this analysis, including chewing force, tooth sliding distance, food abrasivity, saliva lubrication, and antagonist properties. Results: clinical measurement of mastication forces indicates a range of normal forces between 20 and 140 N for a single molar. During the sliding phase of mastication, horizontal movement has been measured between 0.9 and 2.86 mm. In vivo wear occurs by three-body abrasion when food particles are interposed between teeth and by two-body abrasion after food clearance. Analysis of food particles used in wear testing reveals that food particles are softer than enamel and large enough to separate enamel and restoration surfaces and act as a solid lubricant. In two-body wear, saliva acts as a boundary lubricant with a viscosity of 3 cP. Enamel is the most relevant antagonist material for wear testing. The shape of a palatal cusp has been estimated as a 0.6 mm diameter ball and the hardest region of a tooth is its enamel surface. pH values and temperatures have been shown to range between 2-7 and 5-55 degrees C in intraoral fluids, respectively. These intraoral parameters have been used to modify the Alabama wear testing method.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos Publication Date 2013-09-19  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0022-3727 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.588 Times cited Open Access  
  Notes Approved Most recent IF: 2.588; 2013 IF: 2.521  
  Call Number UA @ lucian @ c:irua:128322 Serial 4585  
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Author Celebi, S.; Sezgin, M.E.; Çakir, D.; Baytan, B.; Demirkaya, M.; Sevinir, B.; Bozdemir, S.E.; Gunes, A.M.; Hacimustafaoglu, M. doi  openurl
  Title Catheter-associated bloodstream infections in pediatric hematology-oncology patients Type A1 Journal article
  Year (up) 2013 Publication Pediatric Hematology And Oncology Abbreviated Journal Pediatr Hemat Oncol  
  Volume 30 Issue 3 Pages 187-194  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Catheter-associated bloodstream infections (CABSIs) are common complications encountered with cancer treatment. The aims of this study were to analyze the factors associated with recurrent infection and catheter removal in pediatric hematology-oncology patients. All cases of CABSIs in patients attending the Department of Pediatric Hematology-Oncology between January 2008 and December 2010 were reviewed. A total of 44 episodes of CABSIs, including multiple episodes involving the same catheter, were identified in 31 children with cancer. The overall CABSIs rate was 7.4 infections per 1000 central venous catheter (CVC) days. The most frequent organism isolated was coagulase-negative Staphylococcus (CONS). The CVC was removed in nine (20.4%) episodes. We found that hypotension, persistent bacteremia, Candida infection, exit-side infection, neutropenia, and prolonged duration of neutropenia were the factors for catheter removal. There were 23 (52.2%) episodes of recurrence or reinfection. Mortality rate was found to be 9.6% in children with CABSIs. In this study, we found that CABSIs rate was 7.4 infections per 1000 catheter-days. CABSIs rates in our hematology-oncology patients are comparable to prior reports. Because CONS is the most common isolated microorganism in CABSIs, vancomycin can be considered part of the initial empirical regimen.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication New York Editor  
  Language Wos Publication Date 2013-04-25  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0888-0018 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.12 Times cited Open Access  
  Notes Approved Most recent IF: 1.12; 2013 IF: 0.963  
  Call Number UA @ lucian @ c:irua:128324 Serial 4589  
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Author Arsoski, V.; Tadic, M.; Peeters, F.M. doi  openurl
  Title Electric field tuning of the optical excitonic Aharonov-Bohm effect in nanodots grown by droplet epitaxy Type A1 Journal article
  Year (up) 2013 Publication Physica scripta Abbreviated Journal Phys Scripta  
  Volume T157 Issue Pages 014002  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Neutral excitons in axially symmetric GaAs nanodots embedded in an (Al, Ga) As matrix, which are formed by the droplet epitaxy technique, are investigated theoretically. An electric field perpendicular to the nanodot base results in both a vertical and an in-plane exciton polarization, which is beneficial for the appearance of the excitonic Aharonov-Bohm effect. In the range of low magnetic fields (below 5 Tesla), we found that the bright and dark exciton states can cross twice. This results in oscillations of the photoluminescence intensity with magnetic field, which are a striking manifestation of the optical excitonic Aharonov-Bohm effect.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Stockholm Editor  
  Language Wos 000332504600003 Publication Date 2013-11-15  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0031-8949 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 1.28 Times cited Open Access  
  Notes ; This work was supported by the EU Network of Excellence: SANDiE, the Ministry of Education and Science of Serbia, the Flemish Science Foundation (FWO-Vl) and the Belgian Science Policy (IAP). ; Approved Most recent IF: 1.28; 2013 IF: 1.296  
  Call Number UA @ lucian @ c:irua:128901 Serial 4594  
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Author Tran, T.L.A.; Çakir, D.; Wong, P.K.J.; Preobrajenski, A.B.; Brocks, G.; van der Wiel, W.G.; de Jong, M.P. doi  openurl
  Title Magnetic properties of bcc-Fe(001)/C-60 interfaces for organic spintronics Type A1 Journal article
  Year (up) 2013 Publication Acs Applied Materials & Interfaces Abbreviated Journal Acs Appl Mater Inter  
  Volume 5 Issue 3 Pages 837-841  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The magnetic structure of the interfaces between organic semiconductors and ferromagnetic contacts plays a key role in the spin injection and extraction processes in organic spintronic devices. We present a combined computational (density functional theory) and experimental (X-ray magnetic circular dichroism) study on the magnetic properties of interfaces between bcc-Fe(001) and C-60 molecules. C-60 is an interesting candidate for application in organic spintronics due to the absence of hydrogen atoms and the associated hyperfine fields. Adsorption of C-60 on Fe(001) reduces the magnetic moments on the top Fe layers by similar to 6%, while inducing an antiparrallel magnetic moment of similar to-0.2 mu(B) on C-60. Adsorption of C-60 on a model ferromagnetic substrate consisting of three Fe monolayers on W(001) leads to a different structure but to very similar interface magnetic properties.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000315079700050 Publication Date 2013-01-10  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1944-8244 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 7.504 Times cited 28 Open Access  
  Notes ; The authors acknowledge support from the European project MINOTOR (Grant No. FP7-NMP-228424), the European Research Council (ERC Starting Grant No. 280020), and the NWO VIDI program (Grant No. 10246). The use of supercomputer facilities was sponsored by the “Stichting Nationale Computerfaciliteiten (NCF)”, financially supported by the “Nederlandse Organisatie voor Wetenschappelijk Onderzoek (NWO)”. ; Approved Most recent IF: 7.504; 2013 IF: 5.900  
  Call Number UA @ lucian @ c:irua:128326 Serial 4599  
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Author Lindell, L.; Çakir, D.; Brocks, G.; Fahlman, M.; Braun, S. url  doi
openurl 
  Title Role of intrinsic molecular dipole in energy level alignment at organic interfaces Type A1 Journal article
  Year (up) 2013 Publication Applied Physics Letters Abbreviated Journal Appl Phys Lett  
  Volume 102 Issue 22 Pages 223301  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The energy level alignment in metal-organic and organic-organic junctions of the widely used materials tris-(8-hydroxyquinoline) aluminum (Alq(3)) and 1,4,5,8-naphthalenetetracarboxylic dianhydride (NTCDA) is investigated. The measured alignment schemes for single and bilayer films of Alq(3) and NTCDA are interpreted with the integer charge transfer (ICT) model. Single layer films of Alq(3) feature a constant vacuum level shift of similar to 0.2-0.4 eV in the absence of charge transfer across the interface. This finding is attributed to the intrinsic dipole of the Alq(3) molecule and (partial) ordering of the molecules at the interfaces. The vacuum level shift changes the onset of Fermi level pinning, as it changes the energy needed for equilibrium charge transfer across the interface. (C) 2013 AIP Publishing LLC.  
  Address  
  Corporate Author Thesis  
  Publisher American Institute of Physics Place of Publication New York, N.Y. Editor  
  Language Wos 000320621600081 Publication Date 2013-06-05  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0003-6951; 1077-3118 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.411 Times cited 22 Open Access  
  Notes ; We acknowledge funding from the European Community's Framework Programme under Grant No. FP7-NMP-228424 of the MINOTOR project as well as a project grant from the Swedish Energy Agency, STEM. ; Approved Most recent IF: 3.411; 2013 IF: 3.515  
  Call Number UA @ lucian @ c:irua:128323 Serial 4605  
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Author Hacimustafaoglu, M.; Celebi, S.; Bozdemir, S.E.; Ozgur, T.; Ozcan, I.; Guray, A.; Çakir, D. openurl 
  Title RSV frequency in children below 2 years hospitalized for lower respiratory tract infections Type A1 Journal article
  Year (up) 2013 Publication Turkish Journal Of Pediatrics Abbreviated Journal Turkish J Pediatr  
  Volume 55 Issue 2 Pages 130-139  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Respiratory syncytial virus (RSV) is the most frequent agent of acute lower respiratory diseases and creates a significant burden of disease in children under 5 years all over the world. RSV causes severe lower respiratory tract infections (LRTI) that require hospitalization, especially in children <= 2 years. The aim of this study was to determine the incidence of RSV in children <= 2 years of age hospitalized for LRTI. Children <= 2 years of age hospitalized for one year for LRTI in the three largest hospitals of Bursa City Center, Turkey were evaluated. These three hospitals comprise 67.5% of all child beds in central Bursa, so this study allows us to evaluate the total disease burden and hospitalization incidence in central Bursa. Nasal swabs of the children were evaluated with RSV RespiStrip (Coris Bioconcept Organization). A total of 671 children were hospitalized for LRTI, and 254 (37.9%) had at least one hospitalization that was positive for RSV. Of all patients with LRTI, 54.8% (368/671) were hospitalized for acute bronchiolitis, while 45.2% (303/671) were hospitalized for pneumonia. Of patients with acute bronchiolitis or pneumonia, 41% (151/368) and 34% (103/303) were RSV+, respectively. Of RSV+ hospitalized children, 59.5% (151/254) were diagnosed as acute bronchiolitis and 40.5% (103/254) as pneumonia. The annual incidences of hospitalization due to LRTI, acute bronchiolitis and pneumonia were 20.5/1000, 11.2/1000 and 9.3/1000, respectively, in children <= 2 years of age. The annual incidences of hospitalization due to RSV+ LRTI, acute bronchiolitis and pneumonia were found as 7.8/1000, 4.6/1000 and 3.2/1000, respectively, in children <= 2 years of age. More than one-third of all children hospitalized with LRTI (38.3%, n=257) were in the 0-3 months age group. Compared to other age groups, RSV positivity was highest in that age group for acute bronchiolitis (57%), pneumonia (39.5%) and also total children with LRTI (47.9%). RSV is a very important cause of lower respiratory infections in children <= 2 years of age and occurred most frequently in those 0-3 months of age in our study. Since there is no other study assessing the annual hospitalization incidence of RSV+ LRTIs in one city in Turkey, our study has unique importance for providing valuable statistical data about RSV+ LRTIs.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Ankara Editor  
  Language Wos Publication Date  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0041-4301 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 0.32 Times cited Open Access  
  Notes Approved Most recent IF: 0.32; 2013 IF: 0.339  
  Call Number UA @ lucian @ c:irua:128325 Serial 4606  
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Author Janyavula, S.; Lawson, N.; Çakir, D.; Beck, P.; Ramp, L.C.; Burgess, J.O. doi  openurl
  Title The wear of polished and glazed zirconia against enamel Type A1 Journal article
  Year (up) 2013 Publication Journal Of Prosthetic Dentistry Abbreviated Journal J Prosthet Dent  
  Volume 109 Issue 1 Pages 22-29  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Statement of problem. The wear of tooth structure opposing anatomically contoured zirconia crowns requires further investigation. Purpose. The purpose of this in vitro study was to measure the roughness and wear of polished, glazed, and polished then reglazed zirconia against human enamel antagonists and compare the measurements to those of veneering porcelain and natural enamel. Material and methods. Zirconia specimens were divided into polished, glazed, and polished then reglazed groups (n=8). A veneering porcelain (Ceramco3) and enamel were used as controls. The surface roughness of all pretest specimens was measured. Wear testing was performed in the newly designed Alabama wear testing device. The mesiobuccal cusps of extracted molars were standardized and used as antagonists. Three-dimensional (3D) scans of the specimens and antagonists were obtained at baseline and after 200 000 and 400 000 cycles with a profilometer. The baseline scans were superimposed on the posttesting scans to determine volumetric wear. Data were analyzed with a 1-way ANOVA and Tukey Honestly Significant Difference (HSD) post hoc tests (alpha=.05) Results. Surface roughness ranked in order of least rough to roughest was: polished zirconia, glazed zirconia, polished then reglazed zirconia, veneering porcelain, and enamel. For ceramic, there was no measureable loss on polished zirconia, moderate loss on the surface of enamel, and significant loss on glazed and polished then reglazed zirconia. The highest ceramic wear was exhibited by the veneering ceramic. For enamel antagonists, polished zirconia caused the least wear, and enamel caused moderate wear. Glazed and polished then reglazed zirconia showed significant opposing enamel wear, and veneering porcelain demonstrated the most. Conclusions. Within the limitations of the study, polished zirconia is wear-friendly to the opposing tooth. Glazed zirconia causes more material and antagonist wear than polished zirconia. The surface roughness of the zirconia aided in predicting the wear of the opposing dentition. (J Prosthet Dent 2013;109:22-29)  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication St. Louis, Mo. Editor  
  Language Wos 000313934900004 Publication Date 2013-01-15  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0022-3913 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.095 Times cited 89 Open Access  
  Notes ; ; Approved Most recent IF: 2.095; 2013 IF: 1.419  
  Call Number UA @ lucian @ c:irua:128327 Serial 4612  
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Author Saniz, R.; Vercauteren, S.; Lamoen, D.; Partoens, B.; Barbiellini, B. pdf  doi
openurl 
  Title Accurate description of the van der Waals interaction of an electron-positron pair with the surface of a topological insulator Type P1 Proceeding
  Year (up) 2014 Publication Journal of physics : conference series Abbreviated Journal  
  Volume 505 Issue Pages 012002  
  Keywords P1 Proceeding; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)  
  Abstract Positrons can be trapped in localized states at the surface of a material, and thus quite selectively interact with core or valence surface electrons. Hence, advanced surface positron spectroscopy techniques can present the ideal tools to study a topological insulator, where surface states play a fundamental role. We analyze the problem of a positron at a TI surface, assuming that it is a weakly physisorbed positronium (Ps) atom. To determine if the surface of interest in a material can sustain such a physisorption, an accurate description of the underlying van der Waals (vdW) interaction is essential. We have developed a first-principles parameterfree method, based on the density functional theory, to extract key parameters determining the vdW interaction potential between a Ps atom and the surface of a given material. The method has been successfully applied to quartz and preliminary results on Bi2Te2Se indicate the existence of a positron surface state. We discuss the robustness of our predictions versus the most relevant approximations involved in our approach.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Bristol Editor  
  Language Wos 000338216500002 Publication Date 2014-04-28  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1742-6588;1742-6596; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited 2 Open Access  
  Notes ; We thank A. Weiss for very useful conversations. We acknowledge financial support from FWO-Vlaanderen (projectG.0150.13). This work was carried out using the HPC infrastructure of the University of Antwerp (CalcUA), adivision of the Flemish Supercomputer Center (VSC), funded by the Hercules foundation and the Flemish Government (EWI Department). B. B. is supported by DOE grants Nos. DE-FG02-07ER46352 and DE-AC02-05CH11231 for theory support at ALS, Berkeley, and a NERSC computer time allocation. ; Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:118264 Serial 46  
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Author García, J.H.; Uchoa, B.; Covaci, L.; Rappoport, T.G. url  doi
openurl 
  Title Adatoms and Anderson localization in graphene Type A1 Journal article
  Year (up) 2014 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 90 Issue 8 Pages 085425  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We address the nature of the disordered state that results from the adsorption of adatoms in graphene. For adatoms that sit at the center of the honeycomb plaquette, as in the case of most transition metals, we show that the ones that form a zero-energy resonant state lead to Anderson localization in the vicinity of the Dirac point. Among those, we show that there is a symmetry class of adatoms where Anderson localization is suppressed, leading to an exotic metallic state with large and rare charge droplets, that localizes only at the Dirac point. We identify the experimental conditions for the observation of the Anderson transition for adatoms in graphene.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000341238600004 Publication Date 2014-08-22  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 12 Open Access  
  Notes ; We acknowledge F. Guinea, K. Mullen, A. H. Castro Neto, and E. Mucciolo for discussions. B. U. acknowledges the University of Oklahoma for financial support and NSF Grant No. DMR-1352604 for partial support. T.G.R. and J.H.G acknowledge Brazilian agencies CNPq, FAPERJ, and “INCT de nanoestruturas de carbono” for financial support. ; Approved Most recent IF: 3.836; 2014 IF: 3.736  
  Call Number UA @ lucian @ c:irua:119258 Serial 57  
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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 (up) 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 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 Iyikanat, F.; Sahin, H.; Senger, R.T.; Peeters, F.M. url  doi
openurl 
  Title Ag and Au atoms intercalated in bilayer heterostructures of transition metal dichalcogenides and graphene Type A1 Journal article
  Year (up) 2014 Publication APL materials Abbreviated Journal Apl Mater  
  Volume 2 Issue 9 Pages 092801  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract The diffusive motion of metal nanoparticles Au and Ag on monolayer and between bilayer heterostructures of transition metal dichalcogenides and graphene are investigated in the framework of density functional theory. We found that the minimum energy barriers for diffusion and the possibility of cluster formation depend strongly on both the type of nanoparticle and the type of monolayers and bilayers. Moreover, the tendency to form clusters of Ag and Au can be tuned by creating various bilayers. Tunability of the diffusion characteristics of adatoms in van der Waals heterostructures holds promise for controllable growth of nanostructures. (C) 2014 Author(s). All article content, except where otherwise noted, is licensed under a Creative Commons Attribution 3.0 Unported License.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000342568000020 Publication Date 2014-08-28  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2166-532X ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.335 Times cited 10 Open Access  
  Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem foundation of the Flemish government. Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure), and HPC infrastructure of the University of Antwerp (CalcUA) a division of the Flemish Supercomputer Center (VSC), which is funded by the Hercules foundation. H.S. is supported by a FWO Pegasus Marie Curie Fellowship. F.I. and R.T.S. acknowledge the support from TUBITAK Project No. 111T318. ; Approved Most recent IF: 4.335; 2014 IF: NA  
  Call Number UA @ lucian @ c:irua:119950 Serial 82  
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Author da Costa, D.R.; Zarenia, M.; Chaves, A.; Farias, G.A.; Peeters, F.M. pdf  doi
openurl 
  Title Analytical study of the energy levels in bilayer graphene quantum dots Type A1 Journal article
  Year (up) 2014 Publication Carbon Abbreviated Journal Carbon  
  Volume 78 Issue Pages 392-400  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Using the four-band continuum model we derive a general expression for the infinite-mass boundary condition in bilayer graphene. Applying this new boundary condition we analytically calculate the confined states and the corresponding wave functions in a bilayer graphene quantum dot in the absence and presence of a perpendicular magnetic field. Our results for the energy spectrum show an energy gap between the electron and hole states at small magnetic fields. Furthermore the electron (e) and hole (h) energy levels corresponding to the K and K' valleys exhibit the E-K(e(h)) (m) = E-K'(e(h)) (m) symmetry, where m is the angular momentum quantum number. (C) 2014 Elsevier Ltd. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Oxford Editor  
  Language Wos 000341463900042 Publication Date 2014-07-16  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0008-6223; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 6.337 Times cited 35 Open Access  
  Notes ; This work was financially supported by CNPq, under contract NanoBioEstruturas 555183/2005-0, PRONEX/FUNCAP, CAPES Foundation under the process number BEX 7178/13-1, the Flemish Science Foundation (FWO-Vl), the European Science Foundation (ESF) under the EUROCORES program Euro-GRAPHENE (project CONGRAN), the Bilateral programme between CNPq and FWO-Vl, and the Brazilian Program Science Without Borders (CsF). We thank M. Ramezani Masir and M. Grujic for helpful comments and discussions. ; Approved Most recent IF: 6.337; 2014 IF: 6.196  
  Call Number UA @ lucian @ c:irua:119280 Serial 109  
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Author Oncel, N.; Çakir, D.; Dil, J.H.; Slomski, B.; Landolt, G. pdf  doi
openurl 
  Title Angle-resolved synchrotron photoemission and density functional theory on the iridium modified Si(111) surface Type A1 Journal article
  Year (up) 2014 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat  
  Volume 26 Issue 28 Pages 285501  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The physical and electronic properties of the Ir modified Si(1 1 1) surface have been investigated with the help of angle resolved photoemission spectroscopy and density functional theory. The surface consists of Ir-ring clusters that form a root 7 x root 7 -R19.1 degrees reconstruction. A comparison between the measured and calculated band structure of the system reveals that the dispersions of the projected bulk states and the states originating from '1x1' domains are heavily modified due to Umklapp scattering from the surface Brillouin zone. Density of states calculations show that Ir-ring clusters contribute to the states in the vicinity of the Fermi level.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos 000338830300019 Publication Date 2014-06-19  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0953-8984;1361-648X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.649 Times cited 4 Open Access  
  Notes ; This work was partially supported by the National Science Foundation (DMR-1306101), North Dakota EPSCoR office (NSF grant #EPS-814442), the University of North Dakota and the Swiss National Science Foundation. Computer resources used in this work partially provided by Computational Research Center (HPC-Linux cluster) at UND and TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). ; Approved Most recent IF: 2.649; 2014 IF: 2.346  
  Call Number UA @ lucian @ c:irua:118636 Serial 114  
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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 (up) 2014 Publication Physical review : E : statistical, nonlinear, and soft matter physics Abbreviated Journal Phys Rev E  
  Volume 90 Issue 6 Pages 063113  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Molecular-dynamic simulations were performed in order to investigate the melting processes of isotropically confined binary systems. We considered two species of particles, which differ by their amount of electric charge. A Lindemann type of criterion was used to determine the angular melting temperature. We demonstrate that the magic-to-normal cluster transition can evolve in two distinct ways, that is, through a structural phase transition of the first order or via a smooth transition where an increase of the shells' width leads to a continuous decreasing mechanical stability of the system. Moreover, for large systems, we demonstrate that the internal cluster exerts a minor effect on the mechanical stability of the external shell. Furthermore, we show that highly symmetric configurations, such as those found for multiple ring structures, have large mechanical stability, i.e., high angular melting temperature.  
  Address  
  Corporate Author Thesis  
  Publisher American Institute of Physics Place of Publication Woodbury (NY) Editor  
  Language Wos 000347207000027 Publication Date 2014-12-29  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1539-3755;1550-2376; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.366 Times cited 1 Open Access  
  Notes ; This work was supported by FACEPE (Fundacao de Amparo a Ciencia e Tecnologia do Estado de Pernambuco) Grant No. APQ-1800-1.05/ 12, the bilatera project between CNPq and FWO-VL, and the Flemish Science Foundation (FWO-Vl). ; Approved Most recent IF: 2.366; 2014 IF: 2.288  
  Call Number UA @ lucian @ c:irua:122828 Serial 116  
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Author da Silva, A.L.C.; Candido, L.; Teixeira Rabelo, J.N.; Hai, G.-Q.; Peeters, F.M. pdf  doi
openurl 
  Title Anharmonic effects on thermodynamic properties of a graphene monolayer Type A1 Journal article
  Year (up) 2014 Publication Europhysics letters Abbreviated Journal Epl-Europhys Lett  
  Volume 107 Issue 5 Pages 56004  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We extend the unsymmetrized self-consistent-field method (USF) for anharmonic crystals to layered non-Bravais crystals to investigate structural, dynamical and thermodynamic properties of a free-standing graphene monolayer. In this theory, the main anharmonicity of the crystal lattice has been included and the quantum corrections are taken into account in an h-expansion for the one-particle density matrix. The obtained result for the thermal expansion coefficient (TEC) of graphene shows a strong temperature dependence and agrees with experimental results by Bao et al. (Nat. Nanotechnol., 4 (2009) 562). The obtained value of TEC at room temperature (300 K) is -6.4 x 10(- 6) K- 1 and it becomes positive for T > T-alpha = 358K. We find that quantum effects are significant for T < 1000 K. The interatomic distance, effective amplitudes of the graphene lattice vibrations, adiabatic and isothermal bulk moduli, isobaric and isochoric heat capacities are also calculated and their temperature dependences are determined. Copyright (C) EPLA, 2014  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Paris Editor  
  Language Wos 000341559900020 Publication Date 2014-09-05  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0295-5075;1286-4854; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.957 Times cited 23 Open Access  
  Notes ; This research was supported by the Brazilian agencies CNPq, FAPEG and FAPESP, the Flemish Science Foundation (FWO-Vl) and the Methusalem Foundation of the Flemish Government. ; Approved Most recent IF: 1.957; 2014 IF: 2.095  
  Call Number UA @ lucian @ c:irua:119289 Serial 118  
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Author Maistrenko, Y.L.; Vasylenko, A.; Sudakov, O.; Levchenko, R.; Maistrenko, V.L. doi  openurl
  Title Cascades of multiheaded chimera states for coupled phase oscillators Type A1 Journal article
  Year (up) 2014 Publication International journal of bifurcation and chaos in applied sciences and engineering Abbreviated Journal Int J Bifurcat Chaos  
  Volume 24 Issue 8 Pages 1440014  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract Chimera state is a recently discovered dynamical phenomenon in arrays of nonlocally coupled oscillators, that displays a self-organized spatial pattern of coexisting coherence and incoherence. We discuss the appearance of the chimera states in networks of phase oscillators with attractive and with repulsive interactions, i.e. when the coupling respectively favors synchronization or works against it. By systematically analyzing the dependence of the spatiotemporal dynamics on the level of coupling attractivity/repulsivity and the range of coupling, we uncover that different types of chimera states exist in wide domains of the parameter space as cascades of the states with increasing number of intervals of irregularity, so-called chimera's heads. We report three scenarios for the chimera birth: (1) via saddle-node bifurcation on a resonant invariant circle, also known as SNIC or SNIPER, (2) via blue-sky catastrophe, when two periodic orbits, stable and saddle, approach each other creating a saddle-node periodic orbit, and (3) via homoclinic transition with complex multistable dynamics including an “eight-like” limit cycle resulting eventually in a chimera state.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Singapore Editor  
  Language Wos 000341494900015 Publication Date 2014-08-29  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0218-1274;1793-6551; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.329 Times cited Open Access  
  Notes Approved Most recent IF: 1.329; 2014 IF: 1.078  
  Call Number UA @ lucian @ c:irua:119303 Serial 285  
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Author Van Holsbeke, C.S.; Verhulst, S.L.; Vos, W.G.; de Backer, J.W.; Vinchurkar, S.C.; Verdonck, P.R.; van Doorn, J.W.D.; Nadjmi, N.; de Backer, W.A. doi  openurl
  Title Change in upper airway geometry between upright and supine position during tidal nasal breathing Type A1 Journal article
  Year (up) 2014 Publication Journal Of Aerosol Medicine And Pulmonary Drug Delivery Abbreviated Journal J Aerosol Med Pulm D  
  Volume 27 Issue 1 Pages 51-57  
  Keywords A1 Journal article; Biophysics and Biomedical Physics; Condensed Matter Theory (CMT); Laboratory Experimental Medicine and Pediatrics (LEMP); Translational Neurosciences (TNW)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000331144500007 Publication Date 2013-03-19  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1941-2711;1941-2703; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.528 Times cited 16 Open Access  
  Notes ; ; Approved Most recent IF: 2.528; 2014 IF: 2.798  
  Call Number UA @ lucian @ c:irua:115759 Serial 308  
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Author Croitoru, M.D.; Zachmann, M.; Vagov, A.; Axt, V.M.; Shanenko, A.A.; Kettmann, P.; Papenkort, T.; Kuhn, T. pdf  doi
openurl 
  Title Coherent dynamics of confinement-induced multiband superconductors Type A1 Journal article
  Year (up) 2014 Publication Physica: C : superconductivity Abbreviated Journal Physica C  
  Volume 503 Issue Pages 183-186  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We study the coherent dynamics of pairing in a nanoscale superconductor, that is intrinsically multiband, after an external perturbation in the non-adiabatic regime. The description of the dynamics of the pairing order is within the density-matrix approach based on the BCS model and the Bogoliubov-de Gennes equations. We find that for certain resonant wire widths the superconducting order parameter exhibits two oscillatory frequencies which are determined by the long-time asymptotic values of the subgaps. This in turn leads to a pronounced beating phenomenon. (C) 2014 Elsevier B.V. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos 000340070600040 Publication Date 2014-04-26  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0921-4534; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.404 Times cited 1 Open Access  
  Notes ; M.D.C. acknowledges the support from the Back to Belgium Grant of the federal Science Policy (BELSPO). ; Approved Most recent IF: 1.404; 2014 IF: 0.942  
  Call Number UA @ lucian @ c:irua:118745 Serial 378  
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Author Vagov, A.; Glaessl, M.; Croitoru, M.D.; Axt, V.M.; Kuhn, T. url  doi
openurl 
  Title Competition between pure dephasing and photon losses in the dynamics of a dot-cavity system Type A1 Journal article
  Year (up) 2014 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 90 Issue 7 Pages 075309  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We demonstrate that in quantum-dot cavity systems, the interplay between acoustic phonons and photon losses introduces novel features and characteristic dependencies in the system dynamics. In particular, the combined action of both dephasing mechanisms strongly affects the transition from the weak-to the strong-coupling regime as well as the shape of the spectral triplet that represents the quantum-dot occupation in Fourier space. The width of the central peak in the triplet is expected to decrease with rising temperature, while the widths and heights of the side peaks depend nonmonotonically on the dot-cavity coupling.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000341258700002 Publication Date 2014-08-27  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 11 Open Access  
  Notes ; We acknowledge fruitful discussions with A. Nazir which helped us to more clearly formulate the relation between our phenomenological approach and the microscopic theory. M.D.C. further acknowledges Alexander von Humboldt and BELSPO grants for support. Financial support from the Deutsche Forschungsgemeinschaft (Grant No. AX 17/7-1) is also gratefully acknowledged. ; Approved Most recent IF: 3.836; 2014 IF: 3.736  
  Call Number UA @ lucian @ c:irua:119257 Serial 437  
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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 (up) 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 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 Çakir, D.; Peeters, F.M. url  doi
openurl 
  Title Dependence of the electronic and transport properties of metal-MoSe2 interfaces on contact structures Type A1 Journal article
  Year (up) 2014 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 89 Issue 24 Pages 245403  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Transition metal dichalcogenides (TMDs) are considered as promising candidates for next generation of electronic and optoelectronic devices. To make use of these materials, for instance in field effect transistor applications, it is mandatory to know the detailed properties of contacts of such TMDs with metal electrodes. Here, we investigate the role of the contact structure on the electronic and transport properties of metal-MoSe2 interfaces. Two different contact types, namely face and edge contacts, are studied. We consider both low (Sc) and high (Au) work function metals in order to thoroughly elucidate the role of the metal work function and the type of metal. First principles plane wave calculations and transport calculations based on nonequilibrium Green's function formalism reveal that the contact type has a large impact on the electronic and transport properties of metal-MoSe2 interfaces. For the Sc electrode, the Schottky barrier heights are around 0.25 eV for face contact and bigger than 0.6 eV for edge contact. For the Au case, we calculate very similar barrier heights for both contact types with an average value of 0.5 eV. Furthermore, while the face contact is found to be highly advantageous as compared to the edge contact for the Sc electrode, the latter contact becomes a better choice for the Au electrode. Our findings provide guidelines for the fabrication of TMD-based devices.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000336917700004 Publication Date 2014-06-04  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 39 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. 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:117750 Serial 644  
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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 (up) 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 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 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 (up) 2014 Publication Applied physics letters Abbreviated Journal Appl Phys Lett  
  Volume 105 Issue 23 Pages 232601  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Vortices carrying fractions of a flux quantum are predicted to exist in multiband superconductors, where vortex core can split between multiple band-specific components of the superconducting condensate. Using the two-component Ginzburg-Landau model, we examine such vortex configurations in a two-band superconducting slab in parallel magnetic field. The fractional vortices appear due to the band-selective vortex penetration caused by different thresholds for vortex entry within each band-condensate, and stabilize near the edges of the sample. We show that the resulting fractional vortex configurations leave distinct fingerprints in the static measurements of the magnetization, as well as in ac dynamic measurements of the magnetic susceptibility, both of which can be readily used for the detection of these fascinating vortex states in several existing multiband superconductors. (C) 2014 AIP Publishing LLC.  
  Address  
  Corporate Author Thesis  
  Publisher American Institute of Physics Place of Publication New York, N.Y. Editor  
  Language Wos 000346266000066 Publication Date 2014-12-09  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0003-6951;1077-3118; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.411 Times cited 22 Open Access  
  Notes ; This work was supported by the Brazilian science agencies CAPES (Grant No. PNPD 223038.003145/2011-00), CNPq (Grant Nos. 307552/2012-8, 141911/2012-3, and APV-4 02937/2013-9), and FACEPE (Grant Nos. APQ-0202-1.05/10 and BCT-0278-1.05/ 11), the Research Foundation Flanders (FWO-Vlaanderen), and by the CNPq-FWO cooperation programme (CNPq Grant No. 490297/2009-9). D.D. acknowledges support from CONICET, CNEA, and ANPCyT-PICT2011-1537. The authors thank A. A. Shanenko for extensive discussions on the topic. ; Approved Most recent IF: 3.411; 2014 IF: 3.302  
  Call Number UA @ lucian @ c:irua:122775 Serial 742  
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Author Çakir, D.; Sahin, H.; Peeters, F.M. pdf  doi
openurl 
  Title Doping of rhenium disulfide monolayers : a systematic first principles study Type A1 Journal article
  Year (up) 2014 Publication Physical chemistry, chemical physics Abbreviated Journal Phys Chem Chem Phys  
  Volume 16 Issue 31 Pages 16771-16779  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The absence of a direct-to-indirect band gap transition in ReS2 when going from the monolayer to bulk makes it special among the other semiconducting transition metal dichalcogenides. The functionalization of this promising layered material emerges as a necessity for the next generation technological applications. Here, the structural, electronic, and magnetic properties of substitutionally doped ReS2 monolayers at either the S or Re site were systematically studied by using first principles density functional calculations. We found that substitutional doping of ReS2 depends sensitively on the growth conditions of ReS2. Among the large number of non-metallic atoms, namely H, B, C, Se, Te, F, Br, Cl, As, P. and N, we identified the most promising candidates for n-type and p-type doping of ReS2. While Cl is an ideal candidate for n-type doping, P appears to be the most promising candidate for p-type doping of the ReS2 monolayer. We also investigated the doping of ReS2 with metal atoms, namely Mo, W, Ti, V. Cr, Co, Fe, Mn, Ni, Cu, Nb, Zn, Ru, Os and Pt. Mo, Nb, Ti, and V atoms are found to be easily incorporated in a single layer of ReS2 as substitutional impurities at the Re site for all growth conditions considered in this work. Tuning chemical potentials of dopant atoms energetically makes it possible to dope ReS2 with Fe, Co, Cr, Mn, W, Ru, and Os at the Re site. We observe a robust trend for the magnetic moments when substituting a Re atom with metal atoms such that depending on the electronic configuration of dopant atoms, the net magnetic moment of the doped ReS2 becomes either 0 or 1 mu(B). Among the metallic dopants, Mo is the best candidate for p-type doping of ReS2 owing to its favorable energetics and promising electronic properties.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Cambridge Editor  
  Language Wos 000340075700048 Publication Date 2014-07-02  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1463-9076;1463-9084; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.123 Times cited 58 Open Access  
  Notes ; This work was 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), 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-long Marie Curie Fellowship. D.C. is supported by a FWO Pegasus-short Marie Curie Fellowship. ; Approved Most recent IF: 4.123; 2014 IF: 4.493  
  Call Number UA @ lucian @ c:irua:118742 Serial 752  
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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 (up) 2014 Publication Physical review : E : statistical, nonlinear, and soft matter physics Abbreviated Journal Phys Rev E  
  Volume 90 Issue 6 Pages 062311  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract A two-dimensional (2D) binary colloidal system consisting of interacting dipoles is investigated using an analytical approach. Within the harmonic approximation we obtain the phonon spectrum of the system as a function of the composition, dipole-moment ratio, and mass ratio between the small and big particles. Through a systematic analysis of the phonon spectra we are able to determine the stability region of the different lattice structures of the colloidal alloys. The gaps in the phonon frequency spectrum, the optical frequencies in the long-wavelength limit, and the sound velocity are discussed as well. Using the modified Lindemann criterion and within the harmonic approximation we estimate the melting temperature of the sublattice generated by the big particles.  
  Address  
  Corporate Author Thesis  
  Publisher American Institute of Physics Place of Publication Woodbury (NY) Editor  
  Language Wos 000346833500007 Publication Date 2014-12-22  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1539-3755;1550-2376; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.366 Times cited 4 Open Access  
  Notes ; This work was supported by the Brazilian agencies CNPq (Program Science Without Border), CAPES, and FUNCAP (International cooperation program); the Flemish Science Foundation (FWO-Vl); the bilateral program between Flanders and Brazil (CNPq-FWO collaborating project); and the VLIR-UOS (University Development Cooperation). I.R.O.R. is grateful to Professor E. B. Barros for fruitful discussions. W. P. F. thanks Professor D. Martin A. Buzza for his illuminating comments on this manuscript. ; Approved Most recent IF: 2.366; 2014 IF: 2.288  
  Call Number UA @ lucian @ c:irua:122797 Serial 771  
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Author Berdiyorov, G.; Harrabi, K.; Oktasendra, F.; Gasmi, K.; Mansour, A.I.; Maneval, J.P.; Peeters, F.M. url  doi
openurl 
  Title Dynamics of current-driven phase-slip centers in superconducting strips Type A1 Journal article
  Year (up) 2014 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 90 Issue 5 Pages 054506  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Phase-slip centers/lines and hot spots are the main mechanisms for dissipation in current-carrying superconducting thin films. The pulsed-current method has recently been shown to be an effective tool in studying the dynamics of phase-slip centers and their evolution to hot spots. We use the time-dependent Ginzburg-Landau theory in the study of the dynamics of the superconducting condensate in superconducting strips under external current and zero external magnetic field. We show that both the flux-flow state (i.e., slow-moving vortices) and the phase-slip line state (i.e., fast-moving vortices) are dynamically stable dissipative units with temperature smaller than the critical one, whereas hot spots, which are localized normal regions where the local temperature exceeds the critical value, expand in time, resulting ultimately in a complete destruction of the condensate. The response time of the system to abrupt switching on of the overcritical current decreases with increasing both the value of the current (at all temperatures) and temperature (for a given value of the applied current). Our results are in good qualitative agreement with experiments we have conducted on Nb thin strips.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000344656700003 Publication Date 2014-08-08  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 42 Open Access  
  Notes ; This work was supported by EU Marie Curie Project No. 253057, the Flemish Science Foundation (FWO-Vl), and King Fahd University of Petroleum and Minerals, Saudi Arabia, under the IN131034 DSR project. ; Approved Most recent IF: 3.836; 2014 IF: 3.736  
  Call Number UA @ lucian @ c:irua:121229 Serial 775  
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Author Govaerts, K.; Park, K.; De Beule, C.; Partoens, B.; Lamoen, D. url  doi
openurl 
  Title Effect of Bi bilayers on the topological states of Bi2Se3 : a first-principles study Type A1 Journal article
  Year (up) 2014 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 90 Issue 15 Pages 155124  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)  
  Abstract Bi2Se3 is a three-dimensional topological insulator which has been extensively studied because it has a single Dirac cone on the surface, inside a relatively large bulk band gap. However, the effect of two-dimensional topological insulator Bi bilayers on the properties of Bi2Se3 and vice versa, has not been explored much. Bi bilayers are often present between the quintuple layers of Bi2Se3, since (Bi2)n(Bi2Se3)m form stable ground-state structures. Moreover, Bi2Se3 is a good substrate for growing ultrathin Bi bilayers. By first-principles techniques, we first show that there is no preferable surface termination by either Bi or Se. Next, we investigate the electronic structure of Bi bilayers on top of, or inside a Bi2Se3 slab. If the Bi bilayers are on top, we observe a charge transfer to the quintuple layers that increases the binding energy of the surface Dirac cones. The extra states, originating from the Bi bilayers, were declared to form a topological Dirac cone, but here we show that these are ordinary Rashba-split states. This result, together with the appearance of a new Dirac cone that is localized slightly deeper, might necessitate the reinterpretation of several experimental results. When the Bi bilayers are located inside the Bi2Se3 slab, they tend to split the slab into two topological insulators with clear surface states. Interface states can also be observed, but an energy gap persists because of strong coupling between the neighboring quintuple layers and the Bi bilayers.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000343773200001 Publication Date 2014-10-20  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 30 Open Access  
  Notes ; We gratefully acknowledge financial support from the Research Foundation – Flanders (FWO-Vlaanderen). K.G. thanks the University of Antwerp for a Ph.D. fellowship. C.D.B. is an aspirant of the Flemish Science Foundation. This work was carried out using the HPC infrastructure at the University of Antwerp (CalcUA), a division of the Flemish Supercomputer Center VSC, supported financially by the Hercules Foundation and the Flemish Government (EWI Department). K.P. was supported by U.S. National Science Foundation Grant No. DMR-1206354. ; Approved Most recent IF: 3.836; 2014 IF: 3.736  
  Call Number UA @ lucian @ c:irua:119527 Serial 800  
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