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Author Sreepal, V.; Yagmurcukardes, M.; Vasu, K.S.; Kelly, D.J.; Taylor, S.F.R.; Kravets, V.G.; Kudrynskyi, Z.; Kovalyuk, Z.D.; Patane, A.; Grigorenko, A.N.; Haigh, S.J.; Hardacre, C.; Eaves, L.; Sahin, H.; Geim, A.K.; Peeters, F.M.; Nair, R.R. url  doi
openurl 
  Title Two-dimensional covalent crystals by chemical conversion of thin van der Waals materials Type A1 Journal article
  Year 2019 Publication Nano letters Abbreviated Journal Nano Lett  
  Volume 19 Issue 9 Pages 6475-6481  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract Most of the studied two-dimensional (2D) materials have been obtained by exfoliation of van der Waals crystals. Recently, there has been growing interest in fabricating synthetic 2D crystals which have no layered bulk analogues. These efforts have been focused mainly on the surface growth of molecules in high vacuum. Here, we report an approach to making 2D crystals of covalent solids by chemical conversion of van der Waals layers. As an example, we used 2D indium selenide (InSe) obtained by exfoliation and converted it by direct fluorination into indium fluoride (InF3), which has a nonlayered, rhombohedral structure and therefore cannot possibly be obtained by exfoliation. The conversion of InSe into InF3 is found to be feasible for thicknesses down to three layers of InSe, and the obtained stable InF3 layers are doped with selenium. We study this new 2D material by optical, electron transport, and Raman measurements and show that it is a semiconductor with a direct bandgap of 2.2 eV, exhibiting high optical transparency across the visible and infrared spectral ranges. We also demonstrate the scalability of our approach by chemical conversion of large-area, thin InSe laminates obtained by liquid exfoliation, into InF3 films. The concept of chemical conversion of cleavable thin van der Waals crystals into covalently bonded noncleavable ones opens exciting prospects for synthesizing a wide variety of novel atomically thin covalent crystals.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000486361900083 Publication Date 2019-08-20  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1530-6984 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 12.712 Times cited (down) 32 Open Access  
  Notes ; This work was supported by the Royal Society, the European Research Council (contract 679689 and EvoluTEM 715502), and Engineering and Physical Sciences Research Council, U.K. (EP/N013670/1), The authors acknowledge the use of the facilities at the Henry Royce Institute for Advanced Materials and associated support services. H.S. acknowledges financial support from the Scientific and Technological Research Council of Turkey (TUBITAK) under Project No. 117F095. M.Y. acknowledges the Flemish Science Foundation (FWO-Vl) for a postdoctoral fellowship. S.J.H. and D.J.K. acknowledge support from EPSRC (EP/P009050/1) and the NowNANO CDT. ; Approved Most recent IF: 12.712  
  Call Number UA @ admin @ c:irua:162818 Serial 5431  
Permanent link to this record
 

 
Author Peeters, F.M.; Schweigert, V.A.; Bedanov, V.M. doi  openurl
  Title Classical two-dimensional atoms Type A1 Journal article
  Year 1995 Publication Physica: B : condensed matter Abbreviated Journal Physica B  
  Volume 710 Issue Pages 237-244  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos A1995RT41700009 Publication Date 2003-05-01  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0921-4526; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.319 Times cited (down) 31 Open Access  
  Notes Approved no  
  Call Number UA @ lucian @ c:irua:12202 Serial 372  
Permanent link to this record
 

 
Author Xu, W.; Peeters, F.M.; Lu, T.C. url  doi
openurl 
  Title Dependence of resistivity on electron density and temperature in graphene Type A1 Journal article
  Year 2009 Publication Physical review : B : solid state Abbreviated Journal Phys Rev B  
  Volume 79 Issue 7 Pages 073403,1-073403,4  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract On the basis of the momentum-balance equation derived from the Boltzmann equation in which electron interactions with impurities and acoustic and optic phonons are included, we examine the dependence of the resistivity in graphene on temperature and electron density. Simple analytical expressions for the different contributions to the resistivity are obtained. Our results reproduce recent experimental findings and we are able to understand the different temperature dependence of the resistivity for low and high density samples.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Lancaster, Pa Editor  
  Language Wos 000263815800013 Publication Date 2009-02-12  
  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 (down) 31 Open Access  
  Notes Approved Most recent IF: 3.836; 2009 IF: 3.475  
  Call Number UA @ lucian @ c:irua:76222 Serial 642  
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Author Schweigert, I.V.; Schweigert, V.A.; Peeters, F.M. doi  openurl
  Title Enhanced stability of the square lattice of a classical bilayer Wigner crystal Type A1 Journal article
  Year 1999 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 60 Issue Pages 14665-14674  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Lancaster, Pa Editor  
  Language Wos 000084141700045 Publication Date 2002-07-27  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0163-1829;1095-3795; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited (down) 31 Open Access  
  Notes Approved Most recent IF: 3.836; 1999 IF: NA  
  Call Number UA @ lucian @ c:irua:27004 Serial 1057  
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Author Pourtois, G.; Lauwers, A.; Kittl, J.; Pantisano, L.; Sorée, B.; De Gendt, S.; Magnus, W.; Heyns, A.; Maex, K. pdf  doi
openurl 
  Title First-principle calculations on gate/dielectric interfaces : on the origin of work function shifts Type A1 Journal article
  Year 2005 Publication Microelectronic engineering Abbreviated Journal Microelectron Eng  
  Volume 80 Issue Pages 272-279  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract The impact of interfacial chemistry occurring at dielectric/gate interface of P-MOS and N-MOS devices is reviewed through a quick literature survey. A specific emphasis is put on the way the bond polarization that occurs between a dielectric and a metal substrate impacts on the gate work function. First-principle simulations are then used to study the work function changes induced by dopant aggregation in nickel monosilicide metal gates. It is shown that the changes are a natural consequence of the variation of the interface polarization.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos 000231517000062 Publication Date 2005-06-05  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0167-9317; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.806 Times cited (down) 31 Open Access  
  Notes Approved Most recent IF: 1.806; 2005 IF: 1.347  
  Call Number UA @ lucian @ c:irua:95095 Serial 1199  
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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 UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.925 Times cited (down) 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 Kálmán, O.; Földi, P.; Benedict, M.G.; Peeters, F.M. url  doi
openurl 
  Title Magnetoconductance of rectangular arrays of quantum rings Type A1 Journal article
  Year 2008 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 78 Issue 12 Pages 125306-125306,10  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Electron transport through multiterminal rectangular arrays of quantum rings is studied in the presence of Rashba-type spin-orbit interaction (SOI) and of a perpendicular magnetic field. Using the analytic expressions for the transmission and reflection coefficients for single rings we obtain the conductance through such arrays as a function of the SOI strength, of the magnetic flux, and of the wave vector k of the incident electron. Due to destructive or constructive spin interferences caused by the SOI, the array can be totally opaque for certain ranges of k, while there are parameter values where it is completely transparent. Spin resolved transmission probabilities show nontrivial spin transformations at the outputs of the arrays. When pointlike random scattering centers are placed between the rings, the Aharonov-Bohm peaks split, and an oscillatory behavior of the conductance emerges as a function of the SOI strength.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000259691500047 Publication Date 2008-09-05  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited (down) 31 Open Access  
  Notes Approved Most recent IF: 3.836; 2008 IF: 3.322  
  Call Number UA @ lucian @ c:irua:94598 Serial 1913  
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Author Berdiyorov, G.R.; Chao, X.H.; Peeters, F.M.; Wang, H.B.; Moshchalkov, V.V.; Zhu, B.Y. url  doi
openurl 
  Title Magnetoresistance oscillations in superconducting strips : a Ginzburg-Landau study Type A1 Journal article
  Year 2012 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 86 Issue 22 Pages 224504-224508  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Within the time-dependent Ginzburg-Landau theory we study the dynamic properties of current-carrying superconducting strips in the presence of a perpendicular magnetic field. We found pronounced voltage peaks as a function of the magnetic field, the amplitude of which depends both on sample dimensions and external parameters. These voltage oscillations are a consequence of moving vortices, which undergo alternating static and dynamic phases. At higher fields or for high currents, the continuous motion of vortices is responsible for the monotonic background on which the resistance oscillations due to the entry of additional vortices are superimposed. Mechanisms for such vortex-assisted resistance oscillations are discussed. Qualitative changes in the magnetoresistance curves are observed in the presence of random defects, which affect the dynamics of vortices in the system.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000312064300004 Publication Date 2012-12-10  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited (down) 31 Open Access  
  Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl) and the ESF-NES program. G. R. B. acknowledges support from FWO-Vl. B.Y.Z. acknowledges the support from the MOST 973 Projects No. 2011CBA00110 and No. 2009CB930803, and the National Natural Science Foundation of China. V. V. M. acknowledges support from the Methusalem Funding by the Flemish Government. ; Approved Most recent IF: 3.836; 2012 IF: 3.767  
  Call Number UA @ lucian @ c:irua:105969 Serial 1930  
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Author Verberck, B.; Michel, K.H. doi  openurl
  Title Nanotube field of C60 molecules in carbon nanotubes: atomistic versus continuous approach Type A1 Journal article
  Year 2006 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 74 Issue 4 Pages 045421,1-14  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Lancaster, Pa Editor  
  Language Wos 000239426800113 Publication Date 2006-07-22  
  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 (down) 31 Open Access  
  Notes Approved Most recent IF: 3.836; 2006 IF: 3.107  
  Call Number UA @ lucian @ c:irua:60090 Serial 2281  
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Author Misko, V.R.; Savel'ev, S.; Rakhmanov, A.L.; Nori, F. url  doi
openurl 
  Title Nonuniform self-organized dynamical states in superconductors with periodic pinning Type A1 Journal article
  Year 2006 Publication Physical review letters Abbreviated Journal Phys Rev Lett  
  Volume 96 Issue 12 Pages 127004-127004,4  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We consider magnetic flux moving in superconductors with periodic pinning arrays. We show that sample heating by moving vortices produces negative differential resistivity (NDR) of both N and S type (i.e., N- and S-shaped) in the voltage-current characteristic (VI curve). The uniform flux flow state is unstable in the NDR region of the VI curve. Domain structures appear during the NDR part of the VI curve of an N type, while a filamentary instability is observed for the NDR of an S type. The simultaneous existence of the NDR of both types gives rise to the appearance of striking self-organized (both stationary and nonstationary) two-dimensional dynamical structures.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication New York, N.Y. Editor  
  Language Wos 000236467000064 Publication Date 2006-03-29  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0031-9007;1079-7114; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 8.462 Times cited (down) 31 Open Access  
  Notes Approved Most recent IF: 8.462; 2006 IF: 7.072  
  Call Number UA @ lucian @ c:irua:94690 Serial 2364  
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Author Dong, H.M.; Xu, W.; Zeng, Z.; Lu, T.C.; Peeters, F.M. url  doi
openurl 
  Title Quantum and transport conductivities in monolayer graphene Type A1 Journal article
  Year 2008 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 77 Issue 23 Pages 235402,1-9  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Lancaster, Pa Editor  
  Language Wos 000257289500092 Publication Date 2008-06-03  
  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 (down) 31 Open Access  
  Notes Approved Most recent IF: 3.836; 2008 IF: 3.322  
  Call Number UA @ lucian @ c:irua:69637 Serial 2771  
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Author Shanenko, A.A.; Croitoru, M.D.; Peeters, F.M. url  doi
openurl 
  Title Quantum-size effects on T-c in superconducting nanofilms Type A1 Journal article
  Year 2006 Publication Europhysics letters Abbreviated Journal Epl-Europhys Lett  
  Volume 76 Issue 3 Pages 498-504  
  Keywords A1 Journal article; Condensed Matter Theory (CMT); Electron microscopy for materials research (EMAT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Paris Editor  
  Language Wos 000241434300022 Publication Date 2006-09-21  
  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 (down) 31 Open Access  
  Notes Approved Most recent IF: 1.957; 2006 IF: 2.229  
  Call Number UA @ lucian @ c:irua:61463 Serial 2788  
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Author Shakouri, K.; Vasilopoulos, P.; Vargiamidis, V.; Peeters, F.M. url  doi
openurl 
  Title Spin- and valley-dependent magnetotransport in periodically modulated silicene Type A1 Journal article
  Year 2014 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 90 Issue 12 Pages 125444  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The low-energy physics of silicene is described by Dirac fermions with a strong spin-orbit interaction and its band structure can be controlled by an external perpendicular electric field E-z. We investigate the commensurability oscillations in silicene modulated by a weak periodic potential V = V-0 cos(2 pi y/a(0)) with a(0) as its period, in the presence of a perpendicular magnetic field B and of a weak sinusoidal electric field E-z = E-0 cos(2 pi y/b(0)), where b(0) is its period. We show that the spin and valley degeneracy of the Landau levels is lifted, due to the modulation, and that the interplay between the strong spin-orbit interaction and the potential and electric field modulations can result in spin- and valley-resolved magnetotransport. At very weak magnetic fields the commensurability oscillations induced by a weak potential modulation can exhibit a beating pattern depending on the strength of the homogenous electric field Ez but this is not the case when only Ez is modulated. The Hall conductivity plateaus acquire a step structure, due to spin and valley intra-Landau-level transitions, that is absent in unmodulated silicene. The results are critically contrasted with those for graphene and the two-dimensional electron gas.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000342497700008 Publication Date 2014-09-25  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited (down) 31 Open Access  
  Notes ; Our work was supported by the Flemish Science Foundation (FWO-VI), the Methusalem Foundation of the Flemish Government, and by the Canadian NSERC Grant No. OGP0121756. ; Approved Most recent IF: 3.836; 2014 IF: 3.736  
  Call Number UA @ lucian @ c:irua:119946 Serial 3079  
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Author Neek-Amal, M.; Peeters, F.M. url  doi
openurl 
  Title Strain-engineered graphene through a nanostructured substrate : 2 : pseudomagnetic fields Type A1 Journal article
  Year 2012 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 85 Issue 19 Pages 195446-195446,6  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The strain-induced pseudomagnetic field in supported graphene deposited on top of a nanostructured substrate is investigated by using atomistic simulations. A step, an elongated trench, a one-dimensional barrier, a spherical bubble, a Gaussian bump, and a Gaussian depression are considered as support structures for graphene. From the obtained optimum configurations we found very strong induced pseudomagnetic fields which can reach up to similar to 1000 T due to the strain-induced deformations in the supported graphene. Different magnetic confinements with controllable geometries are found by tuning the pattern of the substrate. The resulting induced magnetic fields for graphene on top of a step, barrier, and trench are calculated. In contrast to the step and trench the middle part of graphene on top of a barrier has zero pseudomagnetic field. This study provides a theoretical background for designing magnetic structures in graphene by nanostructuring substrates. We found that altering the radial symmetry of the deformation changes the sixfold symmetry of the induced pseudomagnetic field.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000304394800013 Publication Date 2012-05-23  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited (down) 31 Open Access  
  Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl) and the ESF EUROCORE program EuroGRAPHENE: CONGRAN. ; Approved Most recent IF: 3.836; 2012 IF: 3.767  
  Call Number UA @ lucian @ c:irua:98943 Serial 3167  
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Author Peeters, F.M.; Riva, C.; Varga, K. pdf  doi
openurl 
  Title Trions in quantum wells Type A1 Journal article
  Year 2001 Publication Physica: B : condensed matter Abbreviated Journal Physica B  
  Volume 300 Issue 1-4 Pages 139-155  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract An overview is given of our investigation of the energy levels and of the correlation functions of the negatively and positively charged excitons (also called trions) in quantum wells in the presence of a perpendicular magnetic field, A detailed comparison is made with available experimental data in III-V and II-VI semiconductor quantum wells. (C) 2001 Elsevier Science B.V. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos 000170850000011 Publication Date 2002-07-25  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0921-4526; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.386 Times cited (down) 31 Open Access  
  Notes Approved Most recent IF: 1.386; 2001 IF: 0.663  
  Call Number UA @ lucian @ c:irua:103410 Serial 3734  
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Author Zhang, L.-F.; Covaci, L.; Milošević, M.V.; Berdiyorov, G.R.; Peeters, F.M. url  doi
openurl 
  Title Unconventional vortex states in nanoscale superconductors due to shape-induced resonances in the inhomogeneous Cooper-pair condensate Type A1 Journal article
  Year 2012 Publication Physical review letters Abbreviated Journal Phys Rev Lett  
  Volume 109 Issue 10 Pages 107001  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Vortex matter in mesoscopic superconductors is known to be strongly affected by the geometry of the sample. Here we show that in nanoscale superconductors with coherence length comparable to the Fermi wavelength the shape resonances of the order parameter results in an additional contribution to the quantum topological confinement-leading to unconventional vortex configurations. Our Bogoliubov-de Gennes calculations in a square geometry reveal a plethora of asymmetric, giant multivortex, and vortex-antivortex structures, stable over a wide range of parameters and which are very different from those predicted by the Ginzburg-Landau theory. These unconventional states are relevant for high-T-c nanograins, confined Bose-Einstein condensates, and graphene flakes with proximity-induced superconductivity.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication New York, N.Y. Editor  
  Language Wos 000308295700014 Publication Date 2012-09-05  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0031-9007;1079-7114; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 8.462 Times cited (down) 31 Open Access  
  Notes ; This work was supported by the Flemish Science Foundation (FWO-Vlaanderen). ; Approved Most recent IF: 8.462; 2012 IF: 7.943  
  Call Number UA @ lucian @ c:irua:101850 Serial 3801  
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Author Chaves, A.; Peeters, F.M.; Farias, G.A.; Milošević, M.V. url  doi
openurl 
  Title Vortex-vortex interaction in bulk superconductors : Ginzburg-Landau theory Type A1 Journal article
  Year 2011 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 83 Issue 5 Pages 054516-054516,14  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The vortex-vortex interaction potential in bulk superconductors is calculated within the Ginzburg-Landau (GL) theory and is obtained from a numerical solution of a set of two coupled nonlinear GL differential equations for the vector potential and the superconducting order parameter, where the merger of vortices into a giant vortex is allowed. Further, the interaction potentials between a vortex and a giant vortex and between a vortex and an antivortex are obtained for both type-I and type-II superconductors. Our numerical results agree asymptotically with the analytical expressions for large intervortex separations that are available in the literature. We propose empirical expressions valid over the full interaction range, which are fitted to our numerical data for different values of the GL parameter.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000287712100009 Publication Date 2011-02-25  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited (down) 31 Open Access  
  Notes ; Discussions with J. S. Andrade Jr. and A. A. Moreira are gratefully acknowledged. This work was financially supported by CNPq, under Contract No. NanoBioEstruturas 555183/2005-0, PRONEX/FUNCAP, CAPES, the Bilateral programme between Flanders and Brazil, the collaborative project CNPq-FWO-Vl, the Belgian Science Policy (IAP), and the Flemish Science Foundation (FWO-Vl). ; Approved Most recent IF: 3.836; 2011 IF: 3.691  
  Call Number UA @ lucian @ c:irua:88805 Serial 3899  
Permanent link to this record
 

 
Author Fernandez, M.S.; Peeters, F.M.; Neek-Amal, M. url  doi
openurl 
  Title Electric-field-induced structural changes in water confined between two graphene layers Type A1 Journal article
  Year 2016 Publication Physical review B Abbreviated Journal Phys Rev B  
  Volume 94 Issue 4 Pages 045436  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract An external electric field changes the physical properties of polar liquids due to the reorientation of their permanent dipoles. Using molecular dynamics simulations, we predict that an in-plane electric field applied parallel to the channel polarizes water molecules which are confined between two graphene layers, resulting in distinct ferroelectricity and electrical hysteresis. We found that electric fields alter the in-plane order of the hydrogen bonds: Reversing the electric field does not restore the system to the nonpolar initial state, instead a residual dipole moment remains in the system. The square-rhombic structure of 2D ice is transformed into two rhombic-rhombic structures. Our study provides insights into the ferroelectric state of water when confined in nanochannels and shows how this can be tuned by an electric field.  
  Address  
  Corporate Author Thesis  
  Publisher American Physical Society Place of Publication New York, N.Y Editor  
  Language Wos 000381485200005 Publication Date 2016-07-27  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited (down) 31 Open Access  
  Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem foundation of the Flemish government. ; Approved Most recent IF: 3.836  
  Call Number UA @ lucian @ c:irua:144684 Serial 4649  
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Author Farias, G.A.; da Costa, W.B.; Peeters, F.M. doi  openurl
  Title Acoustical polarons and bipolarons in two dimensions Type A1 Journal article
  Year 1996 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 54 Issue Pages 12835-12840  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Lancaster, Pa Editor  
  Language Wos A1996VT68200039 Publication Date 2002-07-27  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0163-1829;1095-3795; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.736 Times cited (down) 30 Open Access  
  Notes Approved no  
  Call Number UA @ lucian @ c:irua:15790 Serial 54  
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Author Nelissen, K.; Partoens, B.; Peeters, F.M. url  doi
openurl 
  Title Bubble, stripe, and ring phases in a two-dimensional cluster with competing interactions Type A1 Journal article
  Year 2005 Publication Physical review : E : statistical physics, plasmas, fluids, and related interdisciplinary topics Abbreviated Journal Phys Rev E  
  Volume 71 Issue Pages 066204,1-11  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Lancaster, Pa Editor  
  Language Wos 000230275000049 Publication Date 2005-06-06  
  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 (down) 30 Open Access  
  Notes Approved Most recent IF: 2.366; 2005 IF: 2.418  
  Call Number UA @ lucian @ c:irua:62446 Serial 258  
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Author Misko, V.R.; Peeters, F.M. url  doi
openurl 
  Title Dynamics of vortex shells in mesoscopic superconducting Corbino disks Type A1 Journal article
  Year 2006 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 74 Issue 17 Pages Artn 174507  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Lancaster, Pa Editor  
  Language Wos 000242409000113 Publication Date 2006-11-15  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited (down) 30 Open Access  
  Notes Approved Most recent IF: 3.836; 2006 IF: 3.107  
  Call Number UA @ lucian @ c:irua:61926 Serial 786  
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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 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 (down) 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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Author Khalil-Allafi, J.; Amin-Ahmadi, B. pdf  doi
openurl 
  Title The effect of chemical composition on enthalpy and entropy changes of martensitic transformations in binary NiTi shape memory alloys Type P3 Proceeding
  Year 2009 Publication Journal Of Alloys And Compounds Abbreviated Journal J Alloy Compd  
  Volume 487 Issue Pages 363-366  
  Keywords P3 Proceeding; Condensed Matter Theory (CMT)  
  Abstract In the present research work the binary NiTi alloys with various compositions in the range of 50.351 at.% Ni were used. Samples have been annealed at 850 °C for 15 min and then quenched in water. In order to characterize transformation temperatures and enthalpy changes of the forward and the reverse martensitic transformation, Differential Scanning Calorimetric (DSC) experiments were performed. The enthalpy and entropy changes as a function of Ni atomic content have been thermodynamically investigated. Results show that enthalpy and entropy changes of martensitic transformation decrease when Ni atomic content increases. The variation of enthalpy and entropy of martensitic transformation with Ni content in binary NiTi alloys were explained by thermodynamic parameters and electron concentration of alloy (e/a) respectively.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos 000272521900073 Publication Date 2009-07-31  
  Series Editor Series Title Abbreviated Series Title Proceedings of the 22nd International Conference on the Physics of Semiconductors  
  Series Volume Series Issue Edition  
  ISSN 0925-8388; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.133 Times cited (down) 30 Open Access  
  Notes Approved Most recent IF: 3.133; 2009 IF: 2.135  
  Call Number UA @ lucian @ c:irua:122040 Serial 804  
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Author Singh, S.K.; Neek-Amal, M.; Peeters, F.M. pdf  doi
openurl 
  Title Electronic properties of graphene nano-flakes : energy gap, permanent dipole, termination effect, and Raman spectroscopy Type A1 Journal article
  Year 2014 Publication The journal of chemical physics Abbreviated Journal J Chem Phys  
  Volume 140 Issue 7 Pages 074304-74309  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The electronic properties of graphene nano-flakes (GNFs) with different edge passivation are investigated by using density functional theory. Passivation with F and H atoms is considered: C-Nc X-Nx (X = F or H). We studied GNFs with 10 < N-c < 56 and limit ourselves to the lowest energy configurations. We found that: (i) the energy difference Delta between the highest occupied molecular orbital and the lowest unoccupied molecular orbital decreases with N-c, (ii) topological defects (pentagon and heptagon) break the symmetry of the GNFs and enhance the electric polarization, (iii) the mutual interaction of bilayer GNFs can be understood by dipole-dipole interaction which were found sensitive to the relative orientation of the GNFs, (iv) the permanent dipoles depend on the edge terminated atom, while the energy gap is independent of it, and (v) the presence of heptagon and pentagon defects in the GNFs results in the largest difference between the energy of the spin-up and spin-down electrons which is larger for the H-passivated GNFs as compared to F-passivated GNFs. Our study shows clearly the effect of geometry, size, termination, and bilayer on the electronic properties of small GNFs. This study reveals important features of graphene nano-flakes which can be detected using Raman spectroscopy. (C) 2014 AIP Publishing LLC.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication New York, N.Y. Editor  
  Language Wos 000332039900020 Publication Date 2014-02-20  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0021-9606;1089-7690; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.965 Times cited (down) 30 Open Access  
  Notes ; This work was supported by the EU-Marie Curie IIF postdoctoral Fellowship/ 299855 (for M. N.-A.), the ESF-EuroGRAPHENE project CONGRAN, the Flemish Science Foundation (FWO-Vl), and the Methusalem Foundation of the Flemish Government. ; Approved Most recent IF: 2.965; 2014 IF: 2.952  
  Call Number UA @ lucian @ c:irua:115857 Serial 1002  
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Author Sena, S.H.R.; Pereira, J.M.; Peeters, F.M.; Farias, G.A. url  doi
openurl 
  Title Landau levels in asymmetric graphene trilayer Type A1 Journal article
  Year 2011 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 84 Issue 20 Pages 205448-205448,7  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The electronic spectrum of three coupled graphene layers (graphene trilayers) is investigated in the presence of an external magnetic field. We obtain analytical expressions for the Landau level spectrum for both the ABA and ABC type of stacking, which exhibit very different dependence on the magnetic field. We show that layer asymmetry and an external gate voltage can strongly influence the properties of the system.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000297295400018 Publication Date 2011-11-21  
  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 (down) 30 Open Access  
  Notes ; This work was supported by the Brazilian Council for Research (CNPq), the National Council for the Improvement of Higher Education (CAPES), the Flemish Science Foundation (FWO-Vl), the Belgian Science Policy (IAP), and the bilateral projects between Flanders and Brazil and the CNPq and FWO-Vl. ; Approved Most recent IF: 3.836; 2011 IF: 3.691  
  Call Number UA @ lucian @ c:irua:94026 Serial 1773  
Permanent link to this record
 

 
Author Shanenko, A.A.; Croitoru, M.D.; Mints, R.G.; Peeters, F.M. url  doi
openurl 
  Title New Andreev-type states in superconducting nanowires Type A1 Journal article
  Year 2007 Publication Physical review letters Abbreviated Journal Phys Rev Lett  
  Volume 99 Issue Pages 067007,1-4  
  Keywords A1 Journal article; Condensed Matter Theory (CMT); Electron microscopy for materials research (EMAT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication New York, N.Y. Editor  
  Language Wos 000248664700056 Publication Date 2007-08-10  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0031-9007;1079-7114; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 8.462 Times cited (down) 30 Open Access  
  Notes Fwo -Vi; Bof-Top; Iap Approved Most recent IF: 8.462; 2007 IF: 6.944  
  Call Number UA @ lucian @ c:irua:69664 Serial 2304  
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Author Vos, W.; de Backer, J.; Poli, G.; De Volder, A.; Ghys, L.; Van Holsbeke, C.; Vinchurkar, S.; De Backer, L.; de Backer, W. pdf  doi
openurl 
  Title Novel functional imaging of changes in small airways of patients treated with extrafine beclomethasone/formoterol Type A1 Journal article
  Year 2013 Publication Respiration Abbreviated Journal Respiration  
  Volume 86 Issue 5 Pages 393-401  
  Keywords A1 Journal article; Biophysics and Biomedical Physics; Condensed Matter Theory (CMT); Laboratory Experimental Medicine and Pediatrics (LEMP)  
  Abstract Background: Inhaled formulations using extrafine particles of long-acting beta(2)-agonists and corticosteroids were developed to optimize asthma treatment. Findings that these combinations reach and treat smaller airways more effectively are predominantly based on general non-specific outcomes with little information on regional characteristics. Objectives: This study aims to assess long-term effects of extrafine beclomethasone/formoterol on small airways of asthmatic patients using novel functional imaging methods. Methods: Twenty-four stable asthma patients were subdivided into three groups (steroid naive, n = 7; partially controlled, n = 6; well controlled, n = 11). Current treatment was switched to a fixed combination of extrafine beclomethasone/formoterol (Foster (R); Chiesi Pharmaceuticals, Parma, Italy). Patients underwent lung function evaluation and thorax high-resolution computerized tomography (HRCT) scan. Local airway resistance was obtained from computational fluid dynamics (CFD). Results: After 6 months, the entire population showed improvement in pre-bronchodilation imaging parameters, including small airway volume (p = 0.0007), resistance (p = 0.011), and asthma control score (p = 0.016). Changes in small airway volume correlated with changes in asthma control score (p = 0.004). Forced expiratory volume in 1 s (p = 0.044) and exhaled nitric oxide (p = 0.040) also improved. Functional imaging provided more detail and clinical relevance compared to lung function tests, especially in the well-controlled group where only functional imaging parameters showed significant improvement, while the correlation with asthma control score remained. Conclusions: Extrafine beclomethasone/formoterol results in a significant reduction of small airway obstruction, detectable by functional imaging (HRCT/CFD). Changes in imaging parameters correlated significantly with clinically relevant improvements. This indicates that functional imaging is a useful tool for sensitive assessment of changes in the respiratory system after asthma treatment. Copyright (C) 2013 S. Karger AG, Basel  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Basel Editor  
  Language Wos 000329046200006 Publication Date 2013-04-12  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1423-0356;0025-7931; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.772 Times cited (down) 30 Open Access  
  Notes ; ; Approved Most recent IF: 2.772; 2013 IF: 2.924  
  Call Number UA @ lucian @ c:irua:113762 Serial 2376  
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Author Li, L.L.; Peeters, F.M. url  doi
openurl 
  Title Quantum transport in defective phosphorene nanoribbons : effects of atomic vacancies Type A1 Journal article
  Year 2018 Publication Physical review B Abbreviated Journal Phys Rev B  
  Volume 97 Issue 7 Pages 075414  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Defects are almost inevitably present in realistic materials and defective materials are expected to exhibit very different properties than their nondefective (perfect) counterparts. Here, using a combination of the tight-binding approach and the scattering matrix formalism, we investigate the electronic transport properties of defective phosphorene nanoribbons (PNRs) containing atomic vacancies. We find that for both armchair PNRs (APNRs) and zigzag PNRs (ZPNRs), single vacancies can create quasilocalized states, which can affect their conductance. With increasing vacancy concentration, three different transport regimes are identified: ballistic, diffusive, and Anderson localized ones. In particular, ZPNRs that are known to be metallic due to the presence of edge states become semiconducting: edge conductance vanishes and transport gap appears due to Anderson localization. Moreover, we find that for a fixed vacancy concentration, both APNRs and ZPNRs of narrower width and/or longer length are more sensitive to vacancy disorder than their wider and/or shorter counterparts, and that for the same ribbon length and width, ZPNRs are more sensitive to vacancy disorder than APNRs.  
  Address  
  Corporate Author Thesis  
  Publisher American Physical Society Place of Publication New York, N.Y Editor  
  Language Wos 000424901800006 Publication Date 2018-02-13  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited (down) 30 Open Access  
  Notes ; This work was financially supported by the Flemish Science Foundation (FWO-Vl), the FLAG-ERA TRANS 2D TMD, and by the Chinese Academy of Sciences (CAS). ; Approved Most recent IF: 3.836  
  Call Number UA @ lucian @ c:irua:149255UA @ admin @ c:irua:149255 Serial 4946  
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Author Bafekry, A. doi  openurl
  Title Graphene-like BC₆N single-layer: tunable electronic and magnetic properties via thickness, gating, topological defects, and adatom/molecule Type A1 Journal article
  Year 2020 Publication Physica E-Low-Dimensional Systems & Nanostructures Abbreviated Journal Physica E  
  Volume 118 Issue Pages 113850-15  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract By using density functional theory-based first-principles calculations, we investigate the structural, electronic, optical, and transport properties of pristine single-layer BC6N. Under different external actions and functionalization. Increasing the thickness of the structure results in a decrease of the band gap. Applying a perpendicular electric field decreases the band gap and a semiconductor-to-topological insulator transition is revealed. Uniaxial and biaxial strains of +8% result in a semiconductor-to-metal transition. Nanoribbons of BC6N having zigzag edge with even (odd) values of widths, become metal (semiconductor), while the armchair edge nanoribbons exhibit robust semiconducting behavior. In addition, we systematically investigate the effect of surface adatom and molecule, substitutional impurity and defect engineering on the electronic properties of single-layer BC6N and found transitions from metal to half-metal, to ferromagnetic metal, to dilute magnetic semiconductor, and even to spin-glass semiconductor. Furthermore we found that, topological defects including vacancies and Stone–Wales type, induce magnetism in single-layer BC6N.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000515321700032 Publication Date 2019-12-04  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1386-9477 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.3 Times cited (down) 30 Open Access  
  Notes ; ; Approved Most recent IF: 3.3; 2020 IF: 2.221  
  Call Number UA @ admin @ c:irua:169750 Serial 6530  
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Author Li, L.L.; Bacaksiz, C.; Nakhaee, M.; Pentcheva, R.; Peeters, F.M.; Yagmurcukardes, M. url  doi
openurl 
  Title Single-layer Janus black arsenic-phosphorus (b-AsP): optical dichroism, anisotropic vibrational, thermal, and elastic properties Type A1 Journal article
  Year 2020 Publication Physical Review B Abbreviated Journal Phys Rev B  
  Volume 101 Issue 13 Pages 134102-134109  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract By using density functional theory (DFT) calculations, we predict a puckered, dynamically stable Janus single-layer black arsenic-phosphorus (b-AsP), which is composed of two different atomic sublayers, arsenic and phosphorus atoms. The calculated phonon spectrum reveals that Janus single-layer b-AsP is dynamically stable with either pure or coupled optical phonon branches arising from As and P atoms. The calculated Raman spectrum indicates that due to the relatively strong P-P bonds, As atoms have no contribution to the highfrequency optical vibrations. In addition, the orientation-dependent isovolume heat capacity reveals anisotropic contributions of LA and TA phonon branches to the low-temperature thermal properties. Unlike pristine single layers of b-As and b-P, Janus single-layer b-AsP exhibits additional out-of-plane asymmetry which leads to important consequences for its electronic, optical, and elastic properties. In contrast to single-layer b-As, Janus single-layer b-AsP is found to possess a direct band gap dominated by the P atoms. Moreover, real and imaginary parts of the dynamical dielectric function, including excitonic effects, reveal the highly anisotropic optical feature of the Janus single-layer. A tight-binding (TB) model is also presented for Janus single-layer b-AsP, and it is shown that, with up to seven nearest hoppings, the TB model reproduces well the DFT band structure in the low-energy region around the band gap. This TB model can be used in combination with the Green's function approach to study, e.g., quantum transport in finite systems based on Janus single-layer b-AsP. Furthermore, the linear-elastic properties of Janus single-layer b-AsP are investigated, and the orientation-dependent in-plane stiffness and Poisson ratio are calculated. It is found that the Janus single layer exhibits strong in-plane anisotropy in its Poisson ratio much larger than that of single-layer b-P. This Janus single layer is relevant for promising applications in optical dichroism and anisotropic nanoelasticity.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000524531900001 Publication Date 2020-04-09  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.7 Times cited (down) 30 Open Access  
  Notes ; This work was supported by the German Science Foundation (DFG) within SFB/TRR80 (project G3) and the FLAGERA project TRANS-2D-TMD. M.Y. was supported by a postdoctoral fellowship from the Flemish Science Foundation (FWO-Vl). Computational resources were provided by the Flemish Supercomputer Center (VSC) and Leibniz Supercomputer Centrum (project pr87ro). ; Approved Most recent IF: 3.7; 2020 IF: 3.836  
  Call Number UA @ admin @ c:irua:168554 Serial 6602  
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