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Author (up) Magnus, W.; Lemmens, L.; Brosens, F.
Title Quantum canonical ensemble : a projection operator approach Type A1 Journal article
Year 2017 Publication Physica: A : theoretical and statistical physics Abbreviated Journal Physica A
Volume 482 Issue Pages 1-13
Keywords A1 Journal article; Theory of quantum systems and complex systems; Condensed Matter Theory (CMT)
Abstract Knowing the exact number of particles N, and taking this knowledge into account, the quantum canonical ensemble imposes a constraint on the occupation number operators. The constraint particularly hampers the systematic calculation of the partition function and any relevant thermodynamic expectation value for arbitrary but fixed N. On the other hand, fixing only the average number of particles, one may remove the above constraint and simply factorize the traces in Fock space into traces over single-particle states. As is well known, that would be the strategy of the grand-canonical ensemble which, however, comes with an additional Lagrange multiplier to impose the average number of particles. The appearance of this multiplier can be avoided by invoking a projection operator that enables a constraint-free computation of the partition function and its derived quantities in the canonical ensemble, at the price of an angular or contour integration. Introduced in the recent past to handle various issues related to particle-number projected statistics, the projection operator approach proves beneficial to a wide variety of problems in condensed matter physics for which the canonical ensemble offers a natural and appropriate environment. In this light, we present a systematic treatment of the canonical ensemble that embeds the projection operator into the formalism of second quantization while explicitly fixing N, the very number of particles rather than the average. Being applicable to both bosonic and fermionic systems in arbitrary dimensions, transparent integral representations are provided for the partition function Z(N) and the Helmholtz free energy F-N as well as for two- and four-point correlation functions. The chemical potential is not a Lagrange multiplier regulating the average particle number but can be extracted from FN+1 – F-N, as illustrated for a two-dimensional fermion gas. (C) 2017 Elsevier B.V. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000405885500001 Publication Date 2017-04-20
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0378-4371 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.243 Times cited 1 Open Access
Notes ; ; Approved Most recent IF: 2.243
Call Number UA @ lucian @ c:irua:145145 Serial 4722
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Author (up) Magnus, W.; Nelissen, K.
Title Quantum diffusion: A simple, exactly solvable model Type A1 Journal article
Year 2015 Publication Physica: A : theoretical and statistical physics Abbreviated Journal Physica A
Volume 417 Issue 417 Pages 96-101
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We propose a simple quantum mechanical model describing the time dependent diffusion current between two fermion reservoirs that were initially disconnected and characterized by different densities or chemical potentials. The exact, analytical solution of the model yields the transient behavior of the coupled fermion systems evolving to a final steady state, whereas the long-time behavior is determined by a power law rather than by exponential decay. Similar results are obtained for the entropy production which is proportional to the diffusion current. (C) 2014 Elsevier B.V. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000345721800011 Publication Date 2014-09-28
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0378-4371; ISBN Additional Links UA library record; WoS full record
Impact Factor 2.243 Times cited Open Access
Notes ; ; Approved Most recent IF: 2.243; 2015 IF: 1.732
Call Number c:irua:122170 Serial 2777
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Author (up) Maistrenko, Y.L.; Vasylenko, A.; Sudakov, O.; Levchenko, R.; Maistrenko, V.L.
Title Cascades of multiheaded chimera states for coupled phase oscillators Type A1 Journal article
Year 2014 Publication International journal of bifurcation and chaos in applied sciences and engineering Abbreviated Journal Int J Bifurcat Chaos
Volume 24 Issue 8 Pages 1440014
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract Chimera state is a recently discovered dynamical phenomenon in arrays of nonlocally coupled oscillators, that displays a self-organized spatial pattern of coexisting coherence and incoherence. We discuss the appearance of the chimera states in networks of phase oscillators with attractive and with repulsive interactions, i.e. when the coupling respectively favors synchronization or works against it. By systematically analyzing the dependence of the spatiotemporal dynamics on the level of coupling attractivity/repulsivity and the range of coupling, we uncover that different types of chimera states exist in wide domains of the parameter space as cascades of the states with increasing number of intervals of irregularity, so-called chimera's heads. We report three scenarios for the chimera birth: (1) via saddle-node bifurcation on a resonant invariant circle, also known as SNIC or SNIPER, (2) via blue-sky catastrophe, when two periodic orbits, stable and saddle, approach each other creating a saddle-node periodic orbit, and (3) via homoclinic transition with complex multistable dynamics including an “eight-like” limit cycle resulting eventually in a chimera state.
Address
Corporate Author Thesis
Publisher Place of Publication Singapore Editor
Language Wos 000341494900015 Publication Date 2014-08-29
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0218-1274;1793-6551; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.329 Times cited Open Access
Notes Approved Most recent IF: 1.329; 2014 IF: 1.078
Call Number UA @ lucian @ c:irua:119303 Serial 285
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Author (up) Man, L.F.; Xu, W.; Xiao, Y.M.; Wen, H.; Ding, L.; Van Duppen, B.; Peeters, F.M.
Title Terahertz magneto-optical properties of graphene hydrodynamic electron liquid Type A1 Journal article
Year 2021 Publication Physical Review B Abbreviated Journal Phys Rev B
Volume 104 Issue 12 Pages 125420
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The discovery of the hydrodynamic electron liquid (HEL) in graphene [D. Bandurin et al., Science 351, 1055 (2016) and J. Crossno et al., Science 351, 1058 (2016)] has marked the birth of the solid-state HEL which can be probed near room temperature in a table-top setup. Here we examine the terahertz (THz) magneto-optical (MO) properties of a graphene HEL. Considering the case where the magnetic length l(B) = root h/eB is comparable to the mean-free path l(ee) for electron-electron interaction in graphene, the MO conductivities are obtained by taking a momentum balance equation approach on the basis of the Boltzmann equation. We find that when l(B) similar to l(ee), the viscous effect in a HEL can weaken significantly the THz MO effects such as cyclotron resonance and Faraday rotation. The upper hybrid and cyclotron resonance magnetoplasmon modes omega(+/-) are also obtained through the RPA dielectric function. The magnetoplasmons of graphene HEL at large wave-vector regime are affected by the viscous effect, and results in red-shifts of the magnetoplasmon frequencies. We predict that the viscosity in graphene HEL can affect strongly the magneto-optical and magnetoplasmonic properties, which can be verified experimentally.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000704419300004 Publication Date 2021-09-15
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 1 Open Access OpenAccess
Notes Approved Most recent IF: 3.836
Call Number UA @ admin @ c:irua:182518 Serial 7029
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Author (up) Mao, J.; Jiang, Y.; Moldovan, D.; Li, G.; Watanabe, K.; Taniguchi, T.; Masir, M.R.; Peeters, F.M.; Andrei, E.Y.
Title Realization of a tunable artificial atom at a supercritically charged vacancy in graphene Type A1 Journal article
Year 2016 Publication Nature physics Abbreviated Journal Nat Phys
Volume 12 Issue 12 Pages 545-549
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Graphene’s remarkable electronic properties have fuelled the vision of a graphene-based platform for lighter, faster and smarter electronics and computing applications. One of the challenges is to devise ways to tailor graphene’s electronic properties and to control its charge carriers. Here we show that a single-atom vacancy in graphene can stably host a local charge and that this charge can be gradually built up by applying voltage pulses with the tip of a scanning tunnelling microscope. The response of the conduction electrons in graphene to the local charge is monitored with scanning tunnelling and Landau level spectroscopy, and compared to numerical simulations. As the charge is increased, its interaction with the conduction electrons undergoes a transition into a supercritical regime where itinerant electrons are trapped in a sequence of quasi-bound states which resemble an artificial atom. The quasi-bound electron states are detected by a strong enhancement of the density of states within a disc centred on the vacancy site which is surrounded by halo of hole states. We further show that the quasi-bound states at the vacancy site are gate tunable and that the trapping mechanism can be turned on and off, providing a mechanism to control and guide electrons in graphene.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000377475700011 Publication Date 2016-02-22
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1745-2473 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 22.806 Times cited 93 Open Access
Notes ; Funding was provided by DOE-FG02-99ER45742 (STM/STS), NSF DMR 1207108 (fabrication and characterization). Theoretical work supported by ESF-EUROCORES-EuroGRAPHENE, FWO-VI and Methusalem programme of the Flemish government. We thank V. F. Libisch, M. Pereira and E. Rossi for useful discussions. ; Approved Most recent IF: 22.806
Call Number c:irua:134210 Serial 4011
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Author (up) Mao, J.; Milovanović, S.P.; Andelkovic, M.; Lai, X.; Cao, Y.; Watanabe, K.; Taniguchi, T.; Covaci, L.; Peeters, F.M.; Geim, A.K.; Jiang, Y.; Andrei, E.Y.
Title Evidence of flat bands and correlated states in buckled graphene superlattices Type A1 Journal article
Year 2020 Publication Nature Abbreviated Journal Nature
Volume 584 Issue 7820 Pages 215-220
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
Abstract Two-dimensional atomic crystals can radically change their properties in response to external influences, such as substrate orientation or strain, forming materials with novel electronic structure(1-5). An example is the creation of weakly dispersive, 'flat' bands in bilayer graphene for certain 'magic' angles of twist between the orientations of the two layers(6). The quenched kinetic energy in these flat bands promotes electron-electron interactions and facilitates the emergence of strongly correlated phases, such as superconductivity and correlated insulators. However, the very accurate fine-tuning required to obtain the magic angle in twisted-bilayer graphene poses challenges to fabrication and scalability. Here we present an alternative route to creating flat bands that does not involve fine-tuning. Using scanning tunnelling microscopy and spectroscopy, together with numerical simulations, we demonstrate that graphene monolayers placed on an atomically flat substrate can be forced to undergo a buckling transition(7-9), resulting in a periodically modulated pseudo-magnetic field(10-14), which in turn creates a 'post-graphene' material with flat electronic bands. When we introduce the Fermi level into these flat bands using electrostatic doping, we observe a pseudogap-like depletion in the density of states, which signals the emergence of a correlated state(15-17). This buckling of two-dimensional crystals offers a strategy for creating other superlattice systems and, in particular, for exploring interaction phenomena characteristic of flat bands. Buckled monolayer graphene superlattices are found to provide an alternative to twisted bilayer graphene for the study of flat bands and correlated states in a carbon-based material.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000559831500012 Publication Date 2020-08-12
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0028-0836 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 64.8 Times cited 75 Open Access Not_Open_Access
Notes ; ; Approved Most recent IF: 64.8; 2020 IF: 40.137
Call Number UA @ admin @ c:irua:171150 Serial 6513
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Author (up) Marazzi, E.; Ghojavand, A.; Pirard, J.; Petretto, G.; Charlier, J.-C.; Rignanese, G.-M.
Title Modeling symmetric and defect-free carbon schwarzites into various zeolite templates Type A1 Journal article
Year 2023 Publication Carbon Abbreviated Journal
Volume 215 Issue Pages 118385-118389
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Recently, a process has been proposed for generating negatively-curved carbon schwarzites via zeolite-templating (Braun et al., 2018). However, the proposed process leads to atomistic models which are not very symmetric and often rather defective. In the present work, an improved generation approach is developed, by imposing symmetry constraints, which systematically leads to defect-free, hence more stable, schwarzites. The stability of the newly predicted symmetric schwarzites is also compared to that of other carbon nanostructures (in particular carbon nanotubes – CNTs), which could also be accommodated within the same templates. Our results suggest that only a few of these (such as FAU, SBT and SBS) can fit schwarzites more stable than CNTs. Our predictions could help experimentalists in the crucial choice of the template for the challenging synthesis of schwarzites. Furthermore, being highly symmetric and stable phases, the models could also be synthesized by means of other experimental procedures.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001078649800001 Publication Date 2023-09-04
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0008-6223 ISBN Additional Links UA library record; WoS full record
Impact Factor 10.9 Times cited Open Access
Notes Approved Most recent IF: 10.9; 2023 IF: 6.337
Call Number UA @ admin @ c:irua:200314 Serial 9057
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Author (up) Marchetti, A.; Saniz, R.; Krishnan, D.; Rabbachin, L.; Nuyts, G.; De Meyer, S.; Verbeeck, J.; Janssens, K.; Pelosi, C.; Lamoen, D.; Partoens, B.; De Wael, K.
Title Unraveling the Role of Lattice Substitutions on the Stabilization of the Intrinsically Unstable Pb2Sb2O7Pyrochlore: Explaining the Lightfastness of Lead Pyroantimonate Artists’ Pigments Type A1 Journal article
Year 2020 Publication Chemistry Of Materials Abbreviated Journal Chem Mater
Volume 32 Issue 7 Pages 2863-2873
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
Abstract The pyroantimonate pigments Naples yellow and lead tin antimonate yellow are recognized as some of the most stable synthetic yellow pigments in the history of art. However, this exceptional lightfastness is in contrast with experimental evidence suggesting that this class of mixed oxides is of semiconducting nature. In this study the electronic structure and light-induced behavior of the lead pyroantimonate pigments were determined by means of a combined multifaceted analytical and computational approach (photoelectrochemical measurements, UV-vis diffuse reflectance spectroscopy, STEM-EDS, STEM-HAADF, and density functional theory calculations). The results demonstrate both the semiconducting nature and the lightfastness of these pigments. Poor optical absorption and minority carrier mobility are the main properties responsible for the observed stability. In addition, novel fundamental insights into the role played by Na atoms in the stabilization of the otherwise intrinsically unstable Pb2Sb2O7 pyrochlore were obtained.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000526394000016 Publication Date 2020-04-14
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0897-4756 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 8.6 Times cited 8 Open Access OpenAccess
Notes Universiteit Antwerpen; Belgian Federal Science Policy Office; Approved Most recent IF: 8.6; 2020 IF: 9.466
Call Number EMAT @ emat @c:irua:168819 Serial 6363
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Author (up) Marikutsa, A.; Rumyantseva, M.; Gaskov, A.; Batuk, M.; Hadermann, J.; Sarmadian, N.; Saniz, R.; Partoens, B.; Lamoen, D.
Title Effect of zinc oxide modification by indium oxide on microstructure, adsorbed surface species, and sensitivity to CO Type A1 Journal article
Year 2019 Publication Frontiers in materials Abbreviated Journal
Volume 6 Issue 6 Pages
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
Abstract Additives in semiconductor metal oxides are commonly used to improve sensing behavior of gas sensors. Due to complicated effects of additives on the materials microstructure, adsorption sites and reactivity to target gases the sensing mechanism with modified metal oxides is a matter of thorough research. Herein, we establish the promoting effect of nanocrystalline zinc oxide modification by 1-7 at.% of indium on the sensitivity to CO gas due to improved nanostructure dispersion and concentration of active sites. The sensing materials were synthesized via an aqueous coprecipitation route. Materials composition, particle size and BET area were evaluated using X-ray diffraction, nitrogen adsorption isotherms, high-resolution electron microscopy techniques and EDX-mapping. Surface species of chemisorbed oxygen, OH-groups, and acid sites were characterized by probe molecule techniques and infrared spectroscopy. It was found that particle size of zinc oxide decreased and the BET area increased with the amount of indium oxide. The additive was observed as amorphous indium oxide segregated on agglomerated ZnO nanocrystals. The measured concentration of surface species was higher on In2O3-modified zinc oxide. With the increase of indium oxide content, the sensor response of ZnO/In2O3 to CO was improved. Using in situ infrared spectroscopy, it was shown that oxidation of CO molecules was enhanced on the modified zinc oxide surface. The effect of modifier was attributed to promotion of surface OH-groups and enhancement of CO oxidation on the segregated indium ions, as suggested by DFT in previous work.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000461540600001 Publication Date 2019-03-15
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2296-8016 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 11 Open Access OpenAccess
Notes ; Research was supported by the grant from Russian Science Foundation (project No. 18-73-00071). ; Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:158540 Serial 5205
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Author (up) Marmorkos, I.K.; Matulis, A.; Peeters, F.M.
Title Stability of the superconducting vortex structure around a magnetic dot Type A3 Journal article
Year 1995 Publication Physics of low-dimensional structures Abbreviated Journal
Volume 10/11 Issue Pages 77-86
Keywords A3 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links UA library record
Impact Factor Times cited Open Access
Notes Approved PHYSICS, APPLIED 28/145 Q1 #
Call Number UA @ lucian @ c:irua:13036 Serial 3133
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Author (up) Marmorkos, I.K.; Matulis, A.; Peeters, F.M.
Title Vortex structure around a magnetic dot in planar superconductors Type A1 Journal article
Year 1996 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 53 Issue Pages 2677-2685
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos A1996TV39300081 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 58 Open Access
Notes Approved INSTRUMENTS & INSTRUMENTATION 31/56 Q3 # NUCLEAR SCIENCE & TECHNOLOGY 9/32 Q2 # PHYSICS, PARTICLES & FIELDS 24/28 Q4 # SPECTROSCOPY 28/43 Q3 #
Call Number UA @ lucian @ c:irua:15804 Serial 3893
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Author (up) Marmorkos, I.K.; Schweigert, V.A.; Peeters, F.M.
Title Remote and spatially separated D- centers in quasi-two-dimensional semiconductor structures Type A1 Journal article
Year 1997 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 55 Issue Pages 5065-5072
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos A1997WL49900038 Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1098-0121; 0163-1829 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 41 Open Access
Notes Approved Most recent IF: 3.836; 1997 IF: NA
Call Number UA @ lucian @ c:irua:19289 Serial 2868
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Author (up) Marmorkos, I.K.; Schweigert, V.A.; Peeters, F.M.; Lok, J.G.S.
Title Binding of remote and spatial separated D- centers in double barrier resonant tunneling semiconductor devices Type P3 Proceeding
Year 1996 Publication Abbreviated Journal
Volume Issue Pages 2769-2772
Keywords P3 Proceeding; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher World Scientific Place of Publication Singapore Editor
Language Wos Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links UA library record
Impact Factor Times cited Open Access
Notes Approved MATERIALS SCIENCE, MULTIDISCIPLINARY 135/271 Q2 # PHYSICS, APPLIED 70/145 Q2 # PHYSICS, CONDENSED MATTER 40/67 Q3 #
Call Number UA @ lucian @ c:irua:15809 Serial 241
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Author (up) Martens, K.; Jeong, J.W.; Aetukuri, N.; Rettner, C.; Shukla, N.; Freeman, E.; Esfahani, D.N.; Peeters, F.M.; Topuria, T.; Rice, P.M.; Volodin, A.; Douhard, B.; Vandervorst, W.; Samant, M.G.; Datta, S.; Parkin, S.S.P.
Title Field Effect and Strongly Localized Carriers in the Metal-Insulator Transition Material VO(2) Type A1 Journal article
Year 2015 Publication Physical review letters Abbreviated Journal Phys Rev Lett
Volume 115 Issue 115 Pages 196401
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The intrinsic field effect, the change in surface conductance with an applied transverse electric field, of prototypal strongly correlated VO(2) has remained elusive. Here we report its measurement enabled by epitaxial VO(2) and atomic layer deposited high-kappa dielectrics. Oxygen migration, joule heating, and the linked field-induced phase transition are precluded. The field effect can be understood in terms of field-induced carriers with densities up to approximately 5x10(13) cm(-2) which are trongly localized, as shown by their low, thermally activated mobility ( approximately 1x10(-3) cm(2)/V s at 300 K). These carriers show behavior consistent with that of Holstein polarons and strongly impact the (opto)electronics of VO(2).
Address IBM Research-Almaden, San Jose, California 95120, USA
Corporate Author Thesis
Publisher Place of Publication Editor
Language English Wos 000364024800013 Publication Date 2015-11-05
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0031-9007 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 8.462 Times cited 28 Open Access
Notes ; The authors acknowledge B. Hughes, K. Roche, L. Gao, C. Lada, J. Van Houdt, M. Heyns, J. P. Locquet, J. Delmotte, L. Krupp, L. Clark, and FWO (K. M.). S. D. and N. S. acknowledge LEAST (Low Energy Systems Technology), one of six SRC STARnet Centers, sponsored by MARCO/DARPA, for financial support. ; Approved Most recent IF: 8.462; 2015 IF: 7.512
Call Number c:irua:129547 Serial 4051
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Author (up) Masir, M.R.
Title Electronic properties of graphene in inhomogeneous magnetic fields Type Doctoral thesis
Year 2012 Publication Abbreviated Journal
Volume Issue Pages
Keywords Doctoral thesis; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Antwerpen Editor
Language Wos Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links UA library record
Impact Factor Times cited Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:98178 Serial 1001
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Author (up) Masir, M.R.; Matulis, A.; Peeters, F.M.
Title Quasibound states of Schrödinger and Dirac electrons in a magnetic quantum dot Type A1 Journal article
Year 2009 Publication Physical review : B : solid state Abbreviated Journal Phys Rev B
Volume 79 Issue 15 Pages 155451,1-155451,8
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The properties of a two-dimensional electron are investigated in the presence of a circular step magnetic-field profile. Both electrons with parabolic dispersion as well as Dirac electrons with linear dispersion are studied. We found that in such a magnetic quantum dot no electrons can be confined. Nevertheless close to the Landau levels quasibound states can exist with a rather long lifetime.
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000265944200140 Publication Date 2009-04-30
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 55 Open Access
Notes Approved Most recent IF: 3.836; 2009 IF: 3.475
Call Number UA @ lucian @ c:irua:77026 Serial 2800
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Author (up) Masir, M.R.; Matulis, A.; Peeters, F.M.
Title Scattering of Dirac electrons by circular mass barriers : valley filter and resonant scattering Type A1 Journal article
Year 2011 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 84 Issue 24 Pages 245413-245413,9
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The scattering of two-dimensional (2D) massless Dirac electrons is investigated in the presence of a random array of circular mass barriers. The inverse momentum relaxation time and the Hall factor are calculated and used to obtain parallel and perpendicular resistivity components within linear transport theory. We found a nonzero perpendicular resistivity component which has opposite sign for electrons in the different K and K′ valleys. This property can be used for valley filter purposes. The total cross section for scattering on penetrable barriers exhibits resonances due to the presence of quasibound states in the barriers that show up as sharp gaps in the cross section while for Schrödinger electrons they appear as peaks.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000297934500008 Publication Date 2011-12-12
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 32 Open Access
Notes ; This work was supported by the European Science Foundation (ESF) under the EUROCORES Program Euro-GRAPHENE within the project CONGRAN. ; Approved Most recent IF: 3.836; 2011 IF: 3.691
Call Number UA @ lucian @ c:irua:94383 Serial 2951
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Author (up) Masir, M.R.; Moldovan, D.; Peeters, F.M.
Title Pseudo magnetic field in strained graphene : revisited Type A1 Journal article
Year 2013 Publication Solid state communications Abbreviated Journal Solid State Commun
Volume 175 Issue Pages 76-82
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We revisit the theory of the pseudo magnetic field as induced by strain in graphene using the tight- binding approach. A systematic expansion of the hopping parameter and the deformation of the lattice vectors is presented from which we obtain an expression for the pseudo magnetic field for low energy electrons. We generalize and discuss previous results and propose a novel effective Hamiltonian. The contributions of the different terms to the pseudo field expression are investigated for a model triaxial strain profile and are compared with the full solution. Our work suggests that the previous proposed pseudo magnetic field expression is valid up to reasonably high strain (15%) and there is no K-dependent pseudo-magnetic field.
Address
Corporate Author Thesis
Publisher Place of Publication New York, N.Y. Editor
Language Wos 000329538200010 Publication Date 2013-04-06
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0038-1098; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.554 Times cited 57 Open Access
Notes This work was supported by the Flemish Science Foundation (FWO-Vl), the European Science Foundation (ESF) under the EURO- CORES Program EuroGRAPHENE within the project CONGRAN and the Methusalem programme of the Flemish government. Approved Most recent IF: 1.554; 2013 IF: 1.698
Call Number UA @ lucian @ c:irua:114805 Serial 2737
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Author (up) Masir, M.R.; Peeters, F.M.
Title Scattering of Dirac electrons by a random array of magnetic flux tubes Type A1 Journal article
Year 2013 Publication Journal of computational electronics Abbreviated Journal J Comput Electron
Volume 12 Issue 2 Pages 115-122
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The scattering of two-dimensional (2D) massless electrons as presented in graphene in the presence of a random array of circular magnetic flux tubes is investigated. The momentum relaxation time and the Hall factor are obtained using optical theorem techniques for scattering. Electrons with energy close to those of the Landau levels of the flux tubes exhibit resonant scattering and have a long life-time to reside inside the magnetic flux tube. These resonances appear as sharp structures in the Hall factor and the magneto-resistance.
Address
Corporate Author Thesis
Publisher Place of Publication S.l. Editor
Language Wos 000320044900007 Publication Date 2013-02-15
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1569-8025;1572-8137; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.526 Times cited 2 Open Access
Notes ; This work was supported by the European Science Foundation (ESF) under the EUROCORES Program Euro-GRAPHENE within the project CONGRAN and the Flemish Science Foundation (FWO-Vl). We acknowledge fruitful discussions with A. Matulis. ; Approved Most recent IF: 1.526; 2013 IF: 1.372
Call Number UA @ lucian @ c:irua:109615 Serial 2950
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Author (up) Masir, M.R.; Vasilopoulos, P.; Matulis, A.; Peeters, F.M.
Title Angular confinement and direction-dependent transmission in graphene nanostructures with magnetic barriers Type A1 Journal article
Year 2009 Publication AIP conference proceedings Abbreviated Journal
Volume 1199 Issue Pages 363-364
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We evaluate the transmission through magnetic barriers in graphene-based nanostructures. Several particular cases are considered: a magnetic step, single and double barriers, delta -function barriers as well as barrier structures with inhomogeneous magnetic field profiles but with average magnetic field equal to zero. The transmission exhibits a strong dependence on the direction of the incident wave vector. In general the resonant structure of the transmission is significantly more pronounced for (Dirac) electrons with linear spectrum compared to that for electrons with a parabolic one.
Address
Corporate Author Thesis
Publisher Place of Publication New York Editor
Language Wos 000281590800171 Publication Date 2010-01-15
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links UA library record; WoS full record
Impact Factor Times cited Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:84892 Serial 115
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Author (up) Masir, M.R.; Vasilopoulos, P.; Matulis, A.; Peeters, F.M.
Title Direction-dependent tunneling through nanostructured magnetic barriers in 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 235443,1-11
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000257289500133 Publication Date 2008-06-27
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 212 Open Access
Notes Approved Most recent IF: 3.836; 2008 IF: 3.322
Call Number UA @ lucian @ c:irua:69639 Serial 727
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Author (up) Masir, M.R.; Vasilopoulos, P.; Peeters, F.M.
Title Fabry-Pérot resonances in graphene microstructures: influence of a magnetic field Type A1 Journal article
Year 2010 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 82 Issue 11 Pages 115417-115417,12
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Fabry-Pérot resonances in the transmission through single and double, graphene-based barriers (of height V) and wells are investigated and their dependence on an applied perpendicular magnetic field. For rectangular barriers the conductance decreases with increasing magnetic field while the resonances weaken (become more pronounced) with increasing magnetic field for EF<V (EF>V). The position of the resonances exhibit a linear shift with magnetic field which move to lower (higher) energy for EF<V (EF>V). Compared to semielliptic- or Gaussian-shaped barriers they show a smaller number of resonances in the absence of a magnetic field and an overall lower conductance but the resonant structure is more pronounced. The conductance of asymmetric double barriers show two major regions of resonances while the symmetric ones show one, that of three asymmetric barriers three, and so on.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000281723100007 Publication Date 2010-09-10
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 74 Open Access
Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl), the Belgian Science Policy (IAP) and the Canadian NSERC under Grant No. OGP0121756. ; Approved Most recent IF: 3.836; 2010 IF: 3.774
Call Number UA @ lucian @ c:irua:84871 Serial 1167
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Author (up) Masir, M.R.; Vasilopoulos, P.; Peeters, F.M.
Title Graphene in inhomogeneous magnetic fields : bound, quasi-bound and scattering states Type A1 Journal article
Year 2011 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat
Volume 23 Issue 31 Pages 315301,1-315301,14
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The electron states in graphene-based magnetic dot and magnetic ring structures and combinations of both are investigated. The corresponding spectra are studied as a function of the radii, the strengths of the inhomogeneous magnetic field and of a uniform background field, the strength of an electrostatic barrier and the angular momentum quantum number. In the absence of an external magnetic field we have only long-lived quasi-bound and scattering states and we assess their influence on the density of states. In addition, we consider elastic electron scattering by a magnetic dot, whose average B vanishes, and show that the Hall and longitudinal resistivities, as a function of the Fermi energy, exhibit a pronounced oscillatory structure due to the presence of quasi-bound states. Depending on the dot parameters this oscillatory structure differs substantially for energies below and above the first Landau level.
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos 000293008900002 Publication Date 2011-07-16
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 38 Open Access
Notes ; This work was supported by the European Science Foundation (ESF) under the EUROCORES Program EuroGRAPHENE, the Canadian NSERC grant no. OGP0121756 and the Belgian Science Policy (IAP). We acknowledge discussions and correspondence with Professor A Matulis. ; Approved Most recent IF: 2.649; 2011 IF: 2.546
Call Number UA @ lucian @ c:irua:91176 Serial 1372
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Author (up) Masir, M.R.; Vasilopoulos, P.; Peeters, F.M.
Title Kronig-Penney model of scalar and vector potentials in graphene Type A1 Journal article
Year 2010 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat
Volume 22 Issue 46 Pages 465302,1-465302,10
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We consider a one-dimensional (1D) superlattice (SL) on graphene consisting of very high and very thin (δ-function) magnetic and potential barriers with zero average potential and zero magnetic field. We calculate the energy spectrum analytically, study it in different limiting cases, and determine the condition under which an electron beam incident on an SL is highly collimated along its direction. In the absence of the magnetic SL the collimation is very sensitive to the value of W/Ws and is optimal for W/Ws = 1, where W is the distance between the positive and negative barriers and L = W + Ws is the size of the unit cell. In the presence of only the magnetic SL the collimation decreases and the symmetry of the spectrum around ky is broken for W/Ws\neq 1 . In addition, a gap opens which depends on the strength of the magnetic field. We also investigate the effect of spatially separated potential and magnetic δ-function barriers and predict a better collimation in specific cases.
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos 000283838800004 Publication Date 2010-11-05
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 41 Open Access
Notes ; This work was supported by the Flemish Science Foundation (FWO-VI), the Belgian Science Policy (IAP), and the Canadian NSERC Grant No. OGP0121756. ; Approved Most recent IF: 2.649; 2010 IF: 2.332
Call Number UA @ lucian @ c:irua:85807 Serial 1767
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Author (up) Masir, M.R.; Vasilopoulos, P.; Peeters, F.M.
Title Magnetic Kronig-Penney model for Dirac electrons in single-layer graphene Type A1 Journal article
Year 2009 Publication New journal of physics Abbreviated Journal New J Phys
Volume 11 Issue Pages 095009,1-095009,21
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract he properties of Dirac electrons in a magnetic superlattice (SL) on graphene consisting of very high and thin (δ-function) barriers are investigated. We obtain the energy spectrum analytically and study the transmission through a finite number of barriers. The results are contrasted with those for electrons described by the Schrödinger equation. In addition, a collimation of an incident beam of electrons is obtained along the direction perpendicular to that of the SL. We also highlight an analogy with optical media in which the refractive index varies in space.
Address
Corporate Author Thesis
Publisher Place of Publication Bristol Editor
Language Wos 000270513500008 Publication Date 2009-10-01
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1367-2630; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.786 Times cited 89 Open Access
Notes Approved Most recent IF: 3.786; 2009 IF: 3.312
Call Number UA @ lucian @ c:irua:79241 Serial 1884
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Author (up) Masir, M.R.; Vasilopoulos, P.; Peeters, F.M.
Title Tunneling, conductance, and wavevector filtering through magnetic barriers in bilayer graphene Type A1 Journal article
Year 2009 Publication Physical review : B : solid state Abbreviated Journal Phys Rev B
Volume 79 Issue 3 Pages 035409,1-035409,8
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We evaluate the transmission and conductance through magnetic barrier structures in bilayer graphene. In particular we consider a magnetic step, single and double barriers, -function barriers, as well as barrier structures that have average magnetic field equal to zero. The transmission depends strongly on the direction of the incident electron or hole wavevector and gives the possibility to construct a direction-dependent wavevector filter. The results contrast sharply with previous results on single-layer graphene. In general, the angular range of perfect transmission becomes drastically wider and the gaps narrower. This perfect transmission range decreases with the number of barriers, the barrier width, and the magnetic field. Depending on the structure, a variety of transmission resonances occur that are reflected in the conductance through the structure.
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000262978200107 Publication Date 2009-01-14
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 80 Open Access
Notes Approved Most recent IF: 3.836; 2009 IF: 3.475
Call Number UA @ lucian @ c:irua:75983 Serial 3762
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Author (up) Masir, M.R.; Vasilopoulos, P.; Peeters, F.M.
Title Wavevector filtering through single-layer and bilayer graphene with magnetic barrier structures Type A1 Journal article
Year 2008 Publication Applied physics letters Abbreviated Journal Appl Phys Lett
Volume 93 Issue 24 Pages 242103,1-242103,3
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We show that the angular range of the transmission through magnetic barrier structures can be efficiently controlled in single-layer and bilayer graphenes and this renders the structures efficient wavevector filters. As the number of magnetic barriers increases, this range shrinks, the gaps in the transmission versus energy become wider, and the conductance oscillates with the Fermi energy.
Address
Corporate Author Thesis
Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
Language Wos 000261896400032 Publication Date 2008-12-15
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0003-6951; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.411 Times cited 91 Open Access
Notes Approved Most recent IF: 3.411; 2008 IF: 3.726
Call Number UA @ lucian @ c:irua:75931 Serial 3910
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Author (up) Matsubara, M.; Amini, M.N.; Saniz, R.; Lamoen, D.; Partoens, B.
Title Attracting shallow donors : hydrogen passivation in (Al,Ga,In)-doped ZnO Type A1 Journal article
Year 2012 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 86 Issue 16 Pages 165207
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
Abstract The hydrogen interstitial and the substitutional AlZn, GaZn, and InZn are all shallow donors in ZnO and lead to n-type conductivity. Although shallow donors are expected to repel each other, we show by first-principles calculations that in ZnO these shallow donor impurities attract and form a complex, leading to a donor level deep in the band gap. This puts a limit on the n-type conductivity of (Al,Ga,In)-doped ZnO in the presence of hydrogen.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000310131300008 Publication Date 2012-10-22
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 7 Open Access
Notes Iwt; Fwo; Bof-Noi Approved Most recent IF: 3.836; 2012 IF: 3.767
Call Number UA @ lucian @ c:irua:101780 Serial 202
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Author (up) Matsubara, M.; Saniz, R.; Partoens, B.; Lamoen, D.
Title Doping anatase TiO2with group V-b and VI-b transition metal atoms: a hybrid functional first-principles study Type A1 Journal article
Year 2017 Publication Physical chemistry, chemical physics Abbreviated Journal Phys Chem Chem Phys
Volume 19 Issue 19 Pages 1945-1952
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
Abstract We investigate the role of transition metal atoms of group V-b (V, Nb, Ta) and VI-b (Cr, Mo, W) as n- or p-type dopants in anatase TiO$2$ using thermodynamic

principles and density functional theory with the Heyd-Scuseria-Ernzerhof HSE06 hybrid functional. The HSE06 functional provides a realistic value for the band gap, which ensures a correct classification of dopants as shallow or deep donors or acceptors. Defect formation energies and thermodynamic transition levels are calculated taking into account the constraints imposed by the stability of TiO$
2$ and the solubility limit of the impurities.

Nb, Ta, W and Mo are identified as shallow donors. Although W provides two electrons, Nb and Ta show a considerable lower formation energy, in particular under O-poor conditions. Mo donates in principle one electron, but under specific conditions can turn into a double donor. V impurities are deep donors and Cr

shows up as an amphoteric defect, thereby acting as an electron trapping center in n-type TiO$_2$ especially under O-rich conditions. A comparison with the available experimental data yields excellent agreement.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000394426400027 Publication Date 2016-12-12
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1463-9076 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.123 Times cited 19 Open Access OpenAccess
Notes We gratefully acknowledge financial support from the IWTVlaanderenthrough projects G.0191.08 and G.0150.13, and the BOF-NOI of the University of Antwerp. This work was carried out using the HPC infrastructure of the University of Antwerp (CalcUA), a division of the Flemish Supercomputer Center VSC, which is funded by the Hercules foundation. M. M. acknowledges financial support from the GOA project ‘‘XANES meets ELNES’’ of the University of Antwerp. Approved Most recent IF: 4.123
Call Number EMAT @ emat @ c:irua:140835 Serial 4421
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Author (up) Mattauch, S.; Heger, G.; Michel, K.H.
Title High resolution neutron and X-ray diffraction studies as a function of temperature and electric field of the ferroelectric phase transition of RDP Type A1 Journal article
Year 2004 Publication Crystal research and technology Abbreviated Journal Cryst Res Technol
Volume 39 Issue 12 Pages 1027-1054
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Neutron and high resolution X-ray diffraction investigations on perfect single crystals of RbH2PO4 (RDP), a hydrogen bonded ferroelectric of KDP type are reported. The results of crystal structure analysis from diffraction data, below and above the paraelectric – ferroelectric phase transition, support a disorder – order character Of [PO4H2](-)-groups. The tetragonal symmetry of the paraelectric phase with the double well potential of the hydrogen atoms obtained by diffraction, results simply from a time-space average of orthorhombic symmetry. According to the group – subgroup relation between the tetragonal space group 142d and the orthorhombic Fdd2 a short range order of ferroelectric clusters in the tetragonal phase is observed. With decreasing temperature the ferroelectric clusters increase and the long range interaction between their local polarisation vectors leads to the formation of lamellar ferroelectric domains with alternating polarisation directions at T-C = 147 K. From the high resolution X-ray data it is concluded that below T-C the ferroelastic strain in the (a,b)-plane leads to micro-angle grain boundaries at the domain walls. The tilt angle is enhanced by an applied electric field parallel to the ferroelectric axis. The resulting dislocations at the domain walls persist in the paraelectric phase leading to a memory effect for the arrangement of twin lamellae. With increased electric field the phase transition temperature T-C is decreased.
Address
Corporate Author Thesis
Publisher Place of Publication Berlin Editor
Language Wos 000225681100001 Publication Date 2004-11-12
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0232-1300;1521-4079; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1 Times cited 12 Open Access
Notes Approved Most recent IF: 1; 2004 IF: 0.770
Call Number UA @ lucian @ c:irua:94785 Serial 1459
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