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Author Pizzochero, M.; Leenaerts, O.; Partoens, B.; Martinazzo, R.; Peeters, F.M. pdf  url
doi  openurl
  Title Hydrogen adsorption on nitrogen and boron doped graphene Type A1 Journal article
  Year 2015 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat  
  Volume 27 Issue 27 Pages 425502  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Hydrogen adsorption on boron and nitrogen doped graphene is investigated in detail by means of first-principles calculations. A comprehensive study is performed of the structural, electronic, and magnetic properties of chemisorbed hydrogen atoms and atom pairs near the dopant sites. The main effect of the substitutional atoms is charge doping which is found to greatly affect the adsorption process by increasing the binding energy at the sites closest to the substitutional species. It is also found that doping does not induce magnetism despite the odd number of electrons per atom introduced by the foreign species, and that it quenches the paramagnetic response of chemisorbed H atoms on graphene. Overall, the effects are similar for B and N doping, with only minor differences in the adsorption energetics due to different sizes of the dopant atoms and the accompanying lattice distortions.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language English Wos 000362573500008 Publication Date 2015-10-06  
  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 20 Open Access (up)  
  Notes This work was supported by the Flemish Science Foundation (FWO-Vl). MP gratefully acknowledges the Condensed Matter Theory group at Universiteit Antwerpen for the hospitality during his stay. Approved Most recent IF: 2.649; 2015 IF: 2.346  
  Call Number c:irua:128759 Serial 3971  
Permanent link to this record
 

 
Author Deo, P.S.; Schweigert, V.A.; Peeters, F.M. doi  openurl
  Title Hysteresis in mesoscopic superconducting disks: the Bean-Livingston barrier Type A1 Journal article
  Year 1999 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 59 Issue Pages 6039-6042  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Lancaster, Pa Editor  
  Language Wos 000079254300016 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 59 Open Access (up)  
  Notes Approved Most recent IF: 3.836; 1999 IF: NA  
  Call Number UA @ lucian @ c:irua:24156 Serial 1545  
Permanent link to this record
 

 
Author Tan, H.; Egoavil, R.; Béché, A.; Martinez, G.T.; Van Aert, S.; Verbeeck, J.; Van Tendeloo, G.; Rotella, H.; Boullay, P.; Pautrat, A.; Prellier, W. url  doi
openurl 
  Title Mapping electronic reconstruction at the metal-insulator interface in LaVO3/SrVO3 heterostructures Type A1 Journal article
  Year 2013 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 88 Issue 15 Pages 155123-155126  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract A (LaVO3)6/(SrVO3)(3) superlattice is studied with a combination of sub-A resolved scanning transmission electron microscopy and monochromated electron energy-loss spectroscopy. The V oxidation state is mapped with atomic spatial resolution enabling us to investigate electronic reconstruction at the LaVO3/SrVO3 interfaces. Surprisingly, asymmetric charge distribution is found at adjacent chemically symmetric interfaces. The local structure is proposed and simulated with a double channeling calculation which agrees qualitatively with our experiment. We demonstrate that local strain asymmetry is the likely cause of the electronic asymmetry of the interfaces. The electronic reconstruction at the interfaces extends much further than the chemical composition, varying from 0.5 to 1.2 nm. This distance corresponds to the length of charge transfer previously found in the (LaVO3)./(SrVO3). metal/insulating and the (LaAlO3)./(SrTiO3). insulating/insulating interfaces.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000326087100003 Publication Date 2013-10-21  
  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 15 Open Access (up)  
  Notes Hercules; 246791 COUNTATOMS; 278510 VORTEX; 246102 IFOX; 312483 ESTEEM2; FWO; GOA XANES meets ELNES; esteem2jra3 ECASJO; Approved Most recent IF: 3.836; 2013 IF: 3.664  
  Call Number UA @ lucian @ c:irua:112733UA @ admin @ c:irua:112733 Serial 1944  
Permanent link to this record
 

 
Author Schattschneider, P.; Schaffer, B.; Ennen, I.; Verbeeck, J. url  doi
openurl 
  Title Mapping spin-polarized transitions with atomic resolution Type A1 Journal article
  Year 2012 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 85 Issue 13 Pages 134422-134422,8  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract The coupling of angstrom-sized electron probes with spin-polarized electronic transitions shows that the inelastically scattered probe electron is in a mixed state containing electron vortices with nonzero orbital angular momentum. These electrons create an asymmetric intensity distribution in energy filtered diffraction patterns, giving access to maps of the magnetic moments with atomic resolution. A feasibility experiment shows evidence of the predicted effect. Potential applications are column-by-column maps of magnetic ordering, and the creation of angstrom-sized free electrons with orbital angular momentum by inelastic scattering in a thin ferromagnetic foil.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000302608100004 Publication Date 2012-04-11  
  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 41 Open Access (up)  
  Notes The authors thank A. Bleloch, S. Loffler, and P. Nellist for fruitful discussions and suggestions. P.S. acknowledges financial support from the Austrian Science Fund, Project No. I543-N20. The support of the EPSRC for the SuperSTEM facility is gratefully acknowledged. J.V. acknowledges support from the European Research Council under the 7th Framework Program (FP7), ERC Grant No. 246791-COUNTATOMS and ERC Starting Grant No. 278510-VORTEX. ECASJO_; Approved Most recent IF: 3.836; 2012 IF: 3.767  
  Call Number UA @ lucian @ c:irua:97390UA @ admin @ c:irua:97390 Serial 1945  
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Author Zha, G.-Q.; Covaci, L.; Peeters, F.M.; Zhou, S.-P. url  doi
openurl 
  Title Mixed pairing symmetries and flux-induced spin current in mesoscopic superconducting loops with spin correlations Type A1 Journal article
  Year 2015 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 91 Issue 91 Pages 214504  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We numerically investigate the mixed pairing symmetries inmesoscopic superconducting loops in the presence of spin correlations by solving the Bogoliubov-de Gennes equations self-consistently. The spatial variations of the superconducting order parameters and the spontaneous magnetization are determined by the band structure. When the threaded magnetic flux turns on, the charge and spin currents both emerge and depict periodic evolution. In the case of a mesoscopic loop with dominant triplet p(x) +/- ip(y)-wave symmetry, a slight change of the chemical potential may lead to novel flux-dependent evolution patterns of the ground-state energy and the magnetization. The spin-polarized currents show pronounced quantum oscillations with fractional periods due to the appearance of energy jumps in flux, accompanied with a steplike feature of the enhanced spin current. Particularly, at some appropriate flux, the peaks of the zero-energy local density of states clearly indicate the occurrence of the odd-frequency pairing. In the case of a superconducting loop with dominant singlet d(x2-y2)-wave symmetry, the spatial profiles of the zero-energy local density of states and the magnetization show spin-dependent features on different sample diagonals. Moreover, the evolution of the flux-induced spin current always exhibits an hc/e periodicity.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000355647100003 Publication Date 2015-06-05  
  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 15 Open Access (up)  
  Notes ; This work was supported by the National Natural Science Foundation of China under Grants No. 61371020 and No. 61271163, by the Visiting Scholar Program of Shanghai Municipal Education Commission, and by the Flemish Science Foundation (FWO-Vl). ; Approved Most recent IF: 3.836; 2015 IF: 3.736  
  Call Number c:irua:126433 Serial 2089  
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Author Zhang, L.; Turner, S.; Brosens, F.; Verbeeck, J. url  doi
openurl 
  Title Model-based determination of dielectric function by STEM low-loss EELS Type A1 Journal article
  Year 2010 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 81 Issue 3 Pages 035102  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Theory of quantum systems and complex systems  
  Abstract Dielectric properties of materials are crucial in describing the electromagnetic response of materials. As devices are becoming considerably smaller than the optical wavelength, the conventional measuring methods based on optical response are limited by their spatial resolution. Electron energy loss spectroscopy performed in a scanning transmission electron microscope is a good alternative to obtain the dielectric properties with excellent spatial resolution. Due to the overlap of diffraction discs in scanning transmission electron microscopy, it is difficult to apply conventional experimental settings to suppress retardation losses. In this contribution, a relativistic dielectric model for the loss function is presented which is used in a model based optimization scheme to estimate the complex dielectric function of a material. The method is applied to experiments on bulk diamond and SrTiO3 and shows a good agreement with optical reference data when retardation effects are included. Application of this technique to nanoparticles is possible but several theoretical assumptions made in the model of the loss function are violated and interpretation becomes problematic.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Lancaster, Pa Editor  
  Language Wos 000274002300027 Publication Date 2010-01-08  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 9 Open Access (up)  
  Notes Esteem – 026019; Fwo Approved Most recent IF: 3.836; 2010 IF: 3.774  
  Call Number UA @ lucian @ c:irua:81258UA @ admin @ c:irua:81258 Serial 2098  
Permanent link to this record
 

 
Author Muñoz, W.A.; Covaci, L.; Peeters, F.M. pdf  url
doi  openurl
  Title Superconducting current and proximity effect in ABA and ABC multilayer graphene Josephson junctions Type A1 Journal article
  Year 2013 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 88 Issue 88 Pages 214502  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Using a numerical tight-binding approach based on the Chebyshev–Bogoliubov–de Gennes method we describe Josephson junctions made of multilayer graphene contacted by top superconducting gates. Both Bernal (ABA) and rhombohedral (ABC) stacking are considered and we find that the type of stacking has a strong effect on the proximity effect and the supercurrent flow. For both cases the pair amplitude shows a polarization between dimer and nondimer atoms, being more pronounced for rhombohedral stacking. Even though the proximity effect in nondimer sites is enhanced when compared to single-layer graphene, we find that the supercurrent is suppressed. The spatial distribution of the supercurrent shows that for Bernal stacking the current flows only in the topmost layers while for rhombohedral stacking the current flows throughout the whole structure.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000328569900004 Publication Date 2013-12-02  
  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 4 Open Access (up)  
  Notes This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem funding of the Flemish Government Approved Most recent IF: 3.836; 2013 IF: 3.664  
  Call Number CMT @ cmt @ c:irua:128896 Serial 3962  
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Author Muñoz, W.A.; Covaci, L.; Peeters, F.M. pdf  url
doi  openurl
  Title Disordered graphene Josephson junctions Type A1 Journal article
  Year 2015 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 91 Issue 91 Pages 054506  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract A tight-binding approach based on the Chebyshev-Bogoliubov-de Gennes method is used to describe disordered single-layer graphene Josephson junctions. Scattering by vacancies, ripples, or charged impurities is included. We compute the Josephson current and investigate the nature of multiple Andreev reflections, which induce bound states appearing as peaks in the density of states for energies below the superconducting gap. In the presence of single-atom vacancies, we observe a strong suppression of the supercurrent, which is a consequence of strong intervalley scattering. Although lattice deformations should not induce intervalley scattering, we find that the supercurrent is still suppressed, which is due to the presence of pseudomagnetic barriers. For charged impurities, we consider two cases depending on whether the average doping is zero, i.e., existence of electron-hole puddles, or finite. In both cases, short-range impurities strongly affect the supercurrent, similar to the vacancies scenario.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000349436500001 Publication Date 2015-02-06  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 7 Open Access (up)  
  Notes This work was supported by the Flemish Science Foundation (FWO-Vlaanderen) and the Methusalem funding of the Flemish Government. Approved Most recent IF: 3.836; 2015 IF: 3.736  
  Call Number c:irua:129192 Serial 3961  
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Author Van Aert, S.; de Backer, A.; Martinez, G.T.; Goris, B.; Bals, S.; Van Tendeloo, G.; Rosenauer, A. url  doi
openurl 
  Title Procedure to count atoms with trustworthy single-atom sensitivity Type A1 Journal article
  Year 2013 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 87 Issue 6 Pages 064107-6  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract We report a method to reliably count the number of atoms from high-angle annular dark field scanning transmission electron microscopy images. A model-based analysis of the experimental images is used to measure scattering cross sections at the atomic level. The high sensitivity of these measurements in combination with a thorough statistical analysis enables us to count atoms with single-atom sensitivity. The validity of the results is confirmed by means of detailed image simulations. We will show that the method can be applied to nanocrystals of arbitrary shape, size, and atom type without the need for a priori knowledge about the atomic structure.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000315144700006 Publication Date 2013-02-20  
  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 106 Open Access (up)  
  Notes FWO; 262348 ESMI; 312483 ESTEEM2;246791 COUNTATOMS; Hercules 3; esteem2_jra2 Approved Most recent IF: 3.836; 2013 IF: 3.664  
  Call Number UA @ lucian @ c:irua:105674 Serial 2718  
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Author Wen, X.; Peeters, F.M.; Devreese, J.T. url  doi
openurl 
  Title Streaming-to-accumulation transition in a two-dimensional electron system in a polar semiconductor Type A1 Journal article
  Year 1992 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 46 Issue Pages 7571-7580  
  Keywords A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos A1992JQ37800028 Publication Date 2002-07-27  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0163-1829 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.736 Times cited 13 Open Access (up)  
  Notes Approved PHYSICS, APPLIED 28/145 Q1 #  
  Call Number UA @ lucian @ c:irua:2913 Serial 3175  
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Author Verbist, G.; Smondyrev, M.A.; Peeters, F.M.; Devreese, J.T. url  doi
openurl 
  Title Strong-coupling analysis of large bipolarons in two and three dimensions Type A1 Journal article
  Year 1992 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 45 Issue Pages 5262-5269  
  Keywords A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos A1992HJ68900016 Publication Date 2002-07-27  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0163-1829 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.736 Times cited 68 Open Access (up)  
  Notes Approved PHYSICS, APPLIED 28/145 Q1 #  
  Call Number UA @ lucian @ c:irua:2891 Serial 3179  
Permanent link to this record
 

 
Author Potapov, P.L.; Kulkova, S.E.; Schryvers, D.; Verbeeck, J. doi  openurl
  Title Structural and chemical effects on EELS L3,2 ionization edges in Ni-based intermetallic compounds Type A1 Journal article
  Year 2001 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 64 Issue Pages 184110,1-9  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Lancaster, Pa Editor  
  Language Wos 000172239400038 Publication Date 2002-07-27  
  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 44 Open Access (up)  
  Notes Approved Most recent IF: 3.836; 2001 IF: NA  
  Call Number UA @ lucian @ c:irua:48393 Serial 3192  
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Author Lebedev, O.I.; Verbeeck, J.; Van Tendeloo, G.; Amelinckx, S.; Ravazi, F.S.; Habermeier, H.-U. pdf  doi
openurl 
  Title Structure and microstructure of La1-xSrxMnO3 (x=0.16) films grown on a SrTiO3(110) substrate Type A1 Journal article
  Year 2001 Publication Philosophical magazine: A: physics of condensed matter: defects and mechanical properties Abbreviated Journal Philos Mag A  
  Volume 81 Issue 12 Pages 2865-2884  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos 000172348000008 Publication Date 2007-07-08  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0141-8610;1460-6992; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.136 Times cited 12 Open Access (up)  
  Notes Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:57132 Serial 3290  
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Author Verbeeck, J.; Lebedev, O.I.; Van Tendeloo, G.; Mercey, B. url  doi
openurl 
  Title SrTiO3(100)/(LaMnO3)m(SrMnO3)n layered heterostructures: a combined EELS and TEM study Type A1 Journal article
  Year 2002 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 66 Issue 18 Pages 184426  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Epitaxially grown heterostructures consisting of alternating layers of LaMnO(3) (LMO, 9 or 15 unit cells) and SrMnO(3) (SMO, 4 or 6 unit cells) on a SrTiO(3)(100) (STO(100)) substrate have been studied by a combination of high resolution transmission electron microscopy (HRTEM), electron diffraction, quantitative electron energy loss spectroscopy (EELS) with model fitting, energy filtered TEM (EFTEM) and imaging spectroscopy on an atomic scale. The combination of these techniques is necessary for the structural, chemical, and electronic characterization of these heterostructures. A model is proposed containing chemically and structurally sharp interfaces. The SrMnO(3) layers are stabilized in a Pm3m structure between two LMO layers. Tensile stress causes oxygen deficiency in the SMO layers increasing the number of 3d electrons on the Mn sites to resemble the Mn(3+) sites in LMO. The energy loss near edge structure (ELNES) of O and Mn is compared for both LMO and SMO layers and shows that the Mn-O bonds have a partially covalent character. The absence of a strong valency effect in the Mn ELNES is due to the oxygen vacancies in SMO.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Lancaster, Pa Editor  
  Language Wos 000179633100062 Publication Date 2002-11-27  
  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 32 Open Access (up)  
  Notes Approved Most recent IF: 3.836; 2002 IF: NA  
  Call Number UA @ lucian @ c:irua:54741 Serial 3563  
Permanent link to this record
 

 
Author Zhang, L.-F.; Covaci, L.; Peeters, F.M. url  doi
openurl 
  Title Tomasch effect in nanoscale superconductors Type A1 Journal article
  Year 2015 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 91 Issue 91 Pages 024508  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The Tomasch effect (TE) is due to quasiparticle interference (QPI) as induced by a nonuniform superconducting order parameter, which results in oscillations in the density of states (DOS) at energies above the superconducting gap. Quantum confinement in nanoscale superconductors leads to an inhomogenerous distribution of the Cooperpair condensate, which, as we found, triggers the manifestation of a new TE. We investigate the electronic structure of nanoscale superconductors by solving the Bogoliubov-de Gennes (BdG) equations self-consistently and describe the TE determined by two types of processes, involving two-or three-subband QPIs. Both types of QPIs result in additional BCS-like Bogoliubov-quasiparticles and BCS-like energy gaps leading to oscillations in the DOS and modulated wave patterns in the local density of states. These effects are strongly related to the symmetries of the system. A reduced 4 x 4 inter-subband BdG Hamiltonian is established in order to describe analytically the TE of two-subband QPIs. Our study is relevant to nanoscale superconductors, either nanowires or thin films, Bose-Einsten condensates, and confined systems such as two-dimensional electron gas interface superconductivity.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Lancaster, Pa Editor  
  Language Wos 000348473700003 Publication Date 2015-01-16  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 6 Open Access (up)  
  Notes ; This work was supported by the Flemish Science Foundation (FWO-Vlaanderen) and the Methusalem funding of the Flemish Government. ; Approved Most recent IF: 3.836; 2015 IF: 3.736  
  Call Number c:irua:123864 Serial 3670  
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Author Juchtmans, R.; Béché, A.; Abakumov, A.; Batuk, M.; Verbeeck, J. url  doi
openurl 
  Title Using electron vortex beams to determine chirality of crystals in transmission electron microscopy Type A1 Journal article
  Year 2015 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 91 Issue 91 Pages 094112  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract We investigate electron vortex beams elastically scattered on chiral crystals. After deriving a general expression for the scattering amplitude of a vortex electron, we study its diffraction on point scatterers arranged on a helix. We derive a relation between the handedness of the helix and the topological charge of the electron vortex on one hand and the symmetry of the higher-order Laue zones in the diffraction pattern on the other for kinematically and dynamically scattered electrons. We then extend this to atoms arranged on a helix as found in crystals which belong to chiral space groups and propose a method to determine the handedness of such crystals by looking at the symmetry of the diffraction pattern. In contrast to alternative methods, our technique does not require multiple scattering, which makes it possible to also investigate extremely thin samples in which multiple scattering is suppressed. In order to verify the model, elastic scattering simulations are performed, and an experimental demonstration on Mn2Sb2O7 is given in which we find the sample to belong to the right-handed variant of its enantiomorphic pair. This demonstrates the usefulness of electron vortex beams to reveal the chirality of crystals in a transmission electron microscope and provides the required theoretical basis for further developments in this field.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000352017000002 Publication Date 2015-03-27  
  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 54 Open Access (up)  
  Notes Fwo; 312483 Esteem2; 278510 Vortex; esteem2jra1; esteem2jra2 ECASJO_; Approved Most recent IF: 3.836; 2015 IF: 3.736  
  Call Number c:irua:125512 c:irua:125512 Serial 3825  
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Author Zhang, L.-F.; Covaci, L.; Milošević, M.V.; Berdiyorov, G.R.; Peeters, F.M. url  doi
openurl 
  Title Vortex states in nanoscale superconducting squares : the influence of quantum confinement Type A1 Journal article
  Year 2013 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 88 Issue 14 Pages 144501  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Bogoliubov-de Gennes theory is used to investigate the effect of the size of a superconducting square on the vortex states in the quantum confinement regime. When the superconducting coherence length is comparable to the Fermi wavelength, the shape resonances of the superconducting order parameter have strong influence on the vortex configuration. Several unconventional vortex states, including asymmetric ones, giant-multivortex combinations, and states comprising giant antivortices, were found as ground states and their stability was found to be very sensitive on the value of k(F)xi(0), the size of the sample W, and the magnetic flux Phi. By increasing the temperature and/or enlarging the size of the sample, quantum confinement is suppressed and the conventional mesoscopic vortex states as predicted by the Ginzburg-Laudau (GL) theory are recovered. However, contrary to the GL results we found that the states containing symmetry-induced vortex-antivortex pairs are stable over the whole temperature range. It turns out that the inhomogeneous order parameter induced by quantum confinement favors vortex-antivortex molecules, as well as giant vortices with a rich structure in the vortex core-unattainable in the GL domain.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000325498300004 Publication Date 2013-10-09  
  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 19 Open Access (up)  
  Notes ; This work was supported by the Flemish Science Foundation (FWO-Vlaanderen) and Methusalem Funding of the Flemish government. ; Approved Most recent IF: 3.836; 2013 IF: 3.664  
  Call Number UA @ lucian @ c:irua:111145 Serial 3891  
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Author Adami, O.-A.; Jelić, Ž.L.; Xue, C.; Abdel-Hafiez, M.; Hackens, B.; Moshchalkov, V.V.; Milošević, M.V.; Van de Vondel, J.; Silhanek, A.V. pdf  url
doi  openurl
  Title Onset, evolution, and magnetic braking of vortex lattice instabilities in nanostructured superconducting films Type A1 Journal article
  Year 2015 Publication Physical review: B: condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 92 Issue 92 Pages 134506  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract In 1976, Larkin and Ovchinnikov [Zh. Eksp. Teor. Fiz. 68, 1915 (1975) [Sov. Phys.–JETP 41, 960 (1976)]] predicted that vortex matter in superconductors driven by an electrical current can undergo an abrupt dynamic transition from a flux-flow regime to a more dissipative state at sufficiently high vortex velocities. Typically, this transition manifests itself as a large voltage jump at a particular current density, so-called instability current density J∗, which is smaller than the depairing current. By tuning the effective pinning strength in Al films, using an artificial periodic pinning array of triangular holes, we show that a unique and well-defined instability current density exists if the pinning is strong, whereas a series of multiple voltage transitions appear in the relatively weaker pinning regime. This behavior is consistent with time-dependent Ginzburg-Landau simulations, where the multiple-step transition can be unambiguously attributed to the progressive development of vortex chains and subsequently phase-slip lines. In addition, we explore experimentally the magnetic braking effects, caused by a thick Cu layer deposited on top of the superconductor, on the instabilities and the vortex ratchet effect.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000362433200003 Publication Date 2015-10-08  
  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 21 Open Access (up)  
  Notes ACKNOWLEDGMENTS: This work was partially supported by the Fonds de la Recherche Scientifique-FNRS, the Methusalem Funding of the Flemish Government, the Research Foundation-Flanders (FWO), and COST Action MP1201. The work of A.V.S. and Z.L.J. is partially supported by “Mandat d’Impulsion Scientifique” MIS F.4527.13 of the F.R.S.-FNRS. B.H. is an associate researcher of the Fonds de la Recherche Scientifique- FNRS. The authors thank J. Cuppens for the data analysis at the early stage of this work, R. Delamare for his valuable help during the fabrication of the samples, and G. Grimaldi for helpful discussions. Approved Most recent IF: 3.836; 2015 IF: 3.736  
  Call Number c:irua:128747 Serial 3981  
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Author Aierken, Y.; Leenaerts, O.; Peeters, F.M. url  doi
openurl 
  Title Defect-induced faceted blue phosphorene nanotubes Type A1 Journal article
  Year 2015 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 92 Issue 92 Pages 104104  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The properties of a new class of phosphorene nanotubes (PNT) are investigated by performing first-principles calculations. We demonstrate that it is advantageous to use blue phosphorene in order to make small nanotubes and propose a way to create low-energy PNTs by the inclusion of defect lines. Five different types of defect lines are investigated and incorporated in various combinations. The resulting defect-induced faceted PNTs have negligible bending stresses which leads to a reduction in the formation energy with respect to round PNTs. Our armchair faceted PNTs have similar formation energies than the recently proposed multiphase faceted PNTs, but they have a larger variety of possible structures. Our zigzag faceted PNTs have lower formation energies than round tubes and multiphase faceted nanotubes. The electronic properties of the defect-induced faceted PNTs are determined by the defect lines which control the band gap and the shape of the electronic states at the band edges. These band gaps increase with the radius of the nanotubes and converge to those of isolated defect lines.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000361037200006 Publication Date 2015-09-12  
  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 24 Open Access (up)  
  Notes This work was supported by the Fonds Wetenschappelijk Onderzoek (FWO-Vl). The computational resources and ser- vices 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: 3.836; 2015 IF: 3.736  
  Call Number c:irua:127837 Serial 4033  
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Author Aierken, Y.; Çakır, D.; Sevik, C.; Peeters, F.M. url  doi
openurl 
  Title Thermal properties of black and blue phosphorenes from a first-principles quasiharmonic approach Type A1 Journal article
  Year 2015 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 92 Issue 92 Pages 081408  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Different allotropes of phosphorene are possible of which black and blue phosphorus are the most stable. While blue phosphorus has isotropic properties, black phosphorus is strongly anisotropic in its electronic and optical properties due to its anisotropic crystal structure. In this work, we systematically investigated the lattice thermal properties of black and blue phosphorene by using first-principles calculations based on the quasiharmonic approximation approach. Similar to the optoelectronic and electronic properties, we predict that black phosphorene has highly anisotropic thermal properties, in contrast to the blue phase. The linear thermal expansion coefficients along the zigzag and armchair direction differ up to 20% in black phosphorene. The armchair direction of black phosphorene is more expandable as compared to the zigzag direction and the biaxial expansion of blue phosphorene under finite temperature. Our comparative analysis reveals that the inclusion of finite-temperature effects makes the blue phase thermodynamically more stable over the black phase above 135 K.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000359860700005 Publication Date 2015-08-19  
  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 124 Open Access (up)  
  Notes This work was supported by the Flemish Science Founda- tion (FWO-Vl) and the Methusalem foundation of the Flem- ish government. Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Comput- ing 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. C.S. acknowledges the support from Anadolu University (BAP-1407F335), and Turkish Academy of Sciences (TUBA-GEBIP). Approved Most recent IF: 3.836; 2015 IF: 3.736  
  Call Number c:irua:127754 Serial 4034  
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Author Dell'Anna, L.; Perali, A.; Covaci, L.; Neilson, D. url  doi
openurl 
  Title Using magnetic stripes to stabilize superfluidity in electron-hole double monolayer graphene Type A1 Journal article
  Year 2015 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 92 Issue 92 Pages 220502  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Experiments have confirmed that double monolayer graphene does not generate finite-temperature electron-hole superfluidity, because of very strong screening of the pairing attraction. The linear dispersing energy bands in monolayer graphene block any attempt to reduce the strength of the screening. We propose a hybrid device with two sheets of monolayer graphene in a modulated periodic perpendicular magnetic field. The field preserves the isotropic Dirac cones of the original monolayers but reduces the slope of the cones, making the monolayer Fermi velocity v(F) smaller. We demonstrate that with current experimental techniques, the reduction in vF can weaken the screening sufficiently to allow electron-hole superfluidity at measurable temperatures.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000366500100004 Publication Date 2015-12-14  
  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 7 Open Access (up)  
  Notes ; We thank M. Zarenia for useful discussions. L.D. acknowledges financial support from MIUR: FIRB 2012, Grant No. RBFR12NLNA_002, and PRIN, Grant No. 2010LLKJBX. A.P. and D.N. acknowledge financial support from University of Camerino FAR project CESEMN. L.C. acknowledges financial support from Flemish Science Foundation (FWO). ; Approved Most recent IF: 3.836; 2015 IF: 3.736  
  Call Number c:irua:130211 Serial 4069  
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Author Mulkers, J.; Milošević, M.V.; Van Waeyenberge, B. url  doi
openurl 
  Title Cycloidal versus skyrmionic states in mesoscopic chiral magnets Type A1 Journal article
  Year 2016 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 93 Issue 93 Pages 214405  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract When subjected to the interfacially induced Dzyaloshinskii-Moriya interaction, the ground state in thin ferromagnetic films with high perpendicular anisotropy is cycloidal. The period of this cycloidal state depends on the strength of the Dzyaloshinskii-Moriya interaction. In this work, we have studied the effect of confinement on the magnetic ground state and excited states, and we determined the phase diagram of thin strips and thin square platelets by means of micromagnetic calculations. We show that multiple cycloidal states with different periods can be stable in laterally confined films, where the period of the cycloids does not depend solely on the Dzyaloshinskii-Moriya interaction strength but also on the dimensions of the film. The more complex states comprising skyrmions are also found to be stable, though with higher energy.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000377298600006 Publication Date 2016-06-06  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 28 Open Access (up)  
  Notes ; ; Approved Most recent IF: 3.836  
  Call Number c:irua:133919 Serial 4081  
Permanent link to this record
 

 
Author Juchtmans, R.; Verbeeck, J. url  doi
openurl 
  Title Orbital angular momentum in electron diffraction and its use to determine chiral crystal symmetries Type A1 Journal article
  Year 2015 Publication Physical review: B: condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 92 Issue 92 Pages 134108  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract In this work we present an alternative way to look at electron diffraction in a transmission electron microscope.

Instead of writing the scattering amplitude in Fourier space as a set of plane waves,we use the cylindrical Fourier transform to describe the scattering amplitude in a basis of orbital angular momentum (OAM) eigenstates. We show how working in this framework can be very convenient when investigating, e.g., rotation and screw-axis symmetries. For the latter we find selection rules on the OAM coefficients that unambiguously reveal the handedness of the screw axis. Detecting the OAM coefficients of the scattering amplitude thus offers the possibility to detect the handedness of crystals without the need for dynamical simulations, the thickness of the sample, nor the exact crystal structure. We propose an experimental setup to measure the OAM components where an image of the crystal is taken after inserting a spiral phase plate in the diffraction plane and perform multislice simulations on α quartz to demonstrate how the method indeed reveals the chirality. The experimental feasibility of the technique is discussed together with its main advantages with respect to chirality determination of screw axes. The method shows how the use of a spiral phase plate can be extended from a simple phase imaging technique to a tool to measure the local OAM decomposition of an electron wave, widening the field of interest well beyond chiral space group determination.
 
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000362893100002 Publication Date 2015-10-14  
  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 16 Open Access (up)  
  Notes The authors acknowledge support from the FWO (As- pirant Fonds Wetenschappelijk Onderzoek–Vlaanderen), the EU under the Seventh Framework Program (FP7) under a contract for an Integrated Infrastructure Initiative, Reference No. 312483-ESTEEM2, and ERC Starting Grant No. 278510 VORTEX; esteem2jra1; ECASJO; Approved Most recent IF: 3.836; 2015 IF: 3.736  
  Call Number c:irua:129417 c:irua:129417UA @ admin @ c:irua:129417 Serial 4089  
Permanent link to this record
 

 
Author Sobrino Fernandez, M.M.; Neek-Amal, M.; Peeters, F.M. url  doi
openurl 
  Title AA-stacked bilayer square ice between graphene layers Type A1 Journal article
  Year 2015 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 92 Issue 92 Pages 245428  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Water confined between two graphene layers with a separation of a few A forms a layered two-dimensional ice structure. Using large scale molecular dynamics simulations with the adoptable ReaxFF interatomic potential we found that flat monolayer ice with a rhombic-square structure nucleates between the graphene layers which is nonpolar and nonferroelectric. We provide different energetic considerations and H-bonding results that explain the interlayer and intralayer properties of two-dimensional ice. The controversial AA stacking found experimentally [Algara-Siller et al., Nature (London) 519, 443 (2015)] is consistent with our minimum-energy crystal structure of bilayer ice. Furthermore, we predict that an odd number of layers of ice has the same lattice structure as monolayer ice, while an even number of ice layers exhibits the square ice AA stacking of bilayer ice.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Lancaster, Pa Editor  
  Language Wos 000366731800004 Publication Date 2015-12-17  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1098-0121; 1550-235x ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 40 Open Access (up)  
  Notes ; This work was supported by the ESF-Eurographene project CONGRAN, and the Flemish Science Foundation (FWO-Vl). ; Approved Most recent IF: 3.836; 2015 IF: 3.736  
  Call Number c:irua:130203 Serial 4127  
Permanent link to this record
 

 
Author Neek-Amal, M; Peeters, F.M. url  doi
openurl 
  Title Partially hydrogenated and fluorinated graphene : structure, roughness, and negative thermal expansion Type A1 Journal article
  Year 2015 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 92 Issue 92 Pages 155430  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The structural properties of partially hydrogenated and fluorinated graphene with different percentages of H/F atoms are investigated using molecular dynamics simulations based on reactive force field (ReaxFF) potentials. We found that the roughness of graphene varies with the percentage (p) of H or F and in both cases is maximal around p = 50%. Similar results were obtained for partially oxidized graphene. The two-dimensional area size of partially fluorinated and hydrogenated graphene exhibits a local minimum around p = 35% coverage. The lattice thermal contraction in partially functionalized graphene is found to be one order of magnitude larger than that of fully covered graphene. We also show that the armchair structure for graphene oxide (similar to the structure of fully hydrogenated and fluorinated graphene) is unstable. Our results show that the structure of partially functionalized graphene changes nontrivially with the C : H and C : F ratio as well as with temperature.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Lancaster, Pa Editor  
  Language Wos 000363294100005 Publication Date 2015-10-23  
  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 5 Open Access (up)  
  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; 2015 IF: 3.736  
  Call Number UA @ lucian @ c:irua:129448 Serial 4221  
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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 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 (up)  
  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 Wang, J.; Shin, Y.; Gauquelin, N.; Yang, Y.; Lee, C.; Jannis, D.; Verbeeck, J.; Rondinelli, J.M.; May, S.J. url  doi
openurl 
  Title Physical properties of epitaxial SrMnO2.5−δFγoxyfluoride films Type A1 Journal article
  Year 2019 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat  
  Volume 31 Issue 36 Pages 365602  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Recently, topotactic fluorination has become an alternative way of doping epitaxial perovskite oxides through anion substitution to engineer their electronic properties instead of the more commonly used cation substitution. In this work, epitaxial oxyfluoride SrMnO2.5−δ F γ films were synthesized via topotactic fluorination of SrMnO2.5 films using polytetrafluoroethylene as the fluorine source. Oxidized SrMnO3 films were also prepared for comparison with the fluorinated samples. The F content, probed by x-ray photoemission spectroscopy, was systematically controlled by adjusting fluorination conditions. Electronic transport measurements reveal that increased F content (up to γ  =  0.14) systematically increases the electrical resistivity, despite the nominal electron-doping induced by F substitution for O in these films. In contrast, oxidized SrMnO3 exhibits a decreased resistivity and conduction activation energy. A blue-shift of optical absorption features occurs with increasing F content. Density functional theory calculations indicate that F acts as a scattering center for electronic transport, controls the observed weak ferromagnetic behavior of the films, and reduces the inter-band optical transitions in the manganite films. These results stand in contrast to bulk electron-doped La1−x Ce x MnO3, illustrating how aliovalent anionic substitutions can yield physical behavior distinct from A-site substituted perovskites with the same nominal B-site oxidation states.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000472232000002 Publication Date 2019-09-11  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0953-8984 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.649 Times cited 5 Open Access (up)  
  Notes Work at Drexel was supported by the National Science Foundation (NSF), grant number CMMI-1562223. Thin film synthesis utilized deposition instrumentation acquired through an Army Research Office DURIP grant (W911NF-14-1-0493). Y.S and J.M.R. were supported by NSF (Grant No. DMR-1454688). Calculations were performed using the QUEST HPC Facility at Northwestern, the Extreme Science and Engineering Discovery Environment (XSEDE), which is supported by NSF Grant No. ACI-1053575, and the Center for Nanoscale Materials (Carbon Cluster). Use of the Center for Nanoscale Materials, an Office of Science user facility, was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. J.V. and N. G. acknowledge funding from a GOA project “Solarpaint” of the University of Antwerp. D.J. acknowledges funding from FWO project G093417N from the Flemish fund for scientific research. Approved Most recent IF: 2.649  
  Call Number EMAT @ emat @UA @ admin @ c:irua:161174 Serial 5293  
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Author de de Meux, A.J.; Pourtois, G.; Genoe, J.; Heremans, P. pdf  doi
openurl 
  Title Origin of the apparent delocalization of the conduction band in a high-mobility amorphous semiconductor Type A1 Journal article
  Year 2017 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat  
  Volume 29 Issue 25 Pages 255702  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract In this paper, we show that the apparent delocalization of the conduction band reported from first-principles simulations for the high-mobility amorphous oxide semiconductor InGaZnO4 (a-IGZO) is an artifact induced by the periodic conditions imposed to the model. Given a sufficiently large unit-cell dimension (over 40 angstrom), the conduction band becomes localized. Such a model size is up to four times the size of commonly used models for the study of a-IGZO. This finding challenges the analyses done so far on the nature of the defects and on the interpretation of numerous electrical measurements. In particular, we re-interpret the meaning of the computed effective mass reported so far in literature. Our finding also applies to materials such as SiZnSnO, ZnSnO, InZnSnO, In2O3 or InAlZnO4 whose models have been reported to display a fully delocalized conduction band in the amorphous phase.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos 000402434900002 Publication Date 2017-02-15  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0953-8984 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.649 Times cited 5 Open Access (up) Not_Open_Access  
  Notes Approved Most recent IF: 2.649  
  Call Number UA @ lucian @ c:irua:144183 Serial 4676  
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Author Sabzalipour, A.; Mir, M.; Zarenia, M.; Partoens, B. pdf  doi
openurl 
  Title Charge transport in magnetic topological ultra-thin films : the effect of structural inversion asymmetry Type A1 Journal article
  Year 2021 Publication Journal Of Physics-Condensed Matter Abbreviated Journal J Phys-Condens Mat  
  Volume 33 Issue 32 Pages 325702  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We study the effect of structural inversion asymmetry, induced by the presence of substrates or by external electric fields, on charge transport in magnetic topological ultra-thin films. We consider general orientations of the magnetic impurities. Our results are based on the Boltzmann formalism along with a modified relaxation time scheme. We show that the structural inversion asymmetry enhances the charge transport anisotropy induced by the magnetic impurities and when only one conduction subband contributes to the charge transport a dissipationless charge current is accessible. We demonstrate how a substrate or gate voltage can control the effect of the magnetic impurities on the charge transport, and how this depends on the orientation of the magnetic impurities.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000666698000001 Publication Date 2021-05-28  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0953-8984 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.649 Times cited 1 Open Access (up) Not_Open_Access  
  Notes Approved Most recent IF: 2.649  
  Call Number UA @ admin @ c:irua:179647 Serial 6974  
Permanent link to this record
 

 
Author Kocabas, T.; Cakir, D.; Sevik, C. doi  openurl
  Title First-principles discovery of stable two-dimensional materials with high-level piezoelectric response Type A1 Journal article
  Year 2021 Publication Journal Of Physics-Condensed Matter Abbreviated Journal J Phys-Condens Mat  
  Volume 33 Issue 11 Pages 115705  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The rational design of two-dimensional (2D) piezoelectric materials has recently garnered great interest due to their increasing use in technological applications, including sensor technology, actuating devices, energy harvesting, and medical applications. Several materials possessing high piezoelectric response have been reported so far, but a high-throughput first-principles approach to estimate the piezoelectric potential of layered materials has not been performed yet. In this study, we systematically investigated the piezoelectric (e(11), d(11)) and elastic (C-11 and C-12) properties of 128 thermodynamically stable 2D semiconductor materials by employing first-principle methods. Our high-throughput approach demonstrates that the materials containing Group-V elements produce significantly high piezoelectric strain constants, d(11) > 40 pm V-1, and 49 of the materials considered have the e(11) coefficient higher than MoS2 insomuch as BrSSb has one of the largest d(11) with a value of 373.0 pm V-1. Moreover, we established a simple empirical model in order to estimate the d(11) coefficients by utilizing the relative ionic motion in the unit cell and the polarizability of the individual elements in the compounds.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000605852800001 Publication Date 2020-12-15  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0953-8984 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.649 Times cited Open Access (up) Not_Open_Access  
  Notes Approved Most recent IF: 2.649  
  Call Number UA @ admin @ c:irua:193761 Serial 7971  
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