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Author Paul, M.; Kufer, D.; Müller, A.; Brück, S.; Goering, E.; Kamp, M.; Verbeeck, J.; Tian, H.; Van Tendeloo, G.; Ingle, N.J.C.; Sing, M.; Claessen, R.
Title Fe3O4/ZnO : a high-quality magnetic oxide-semiconductor heterostructure by reactive deposition Type A1 Journal article
Year 2011 Publication Applied physics letters Abbreviated Journal Appl Phys Lett
Volume 98 Issue 1 Pages 012512,1-012512,3
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract (down) We demonstrate the epitaxial growth of Fe<sub>3</sub>O<sub>4</sub> films on ZnO by a simple reactive deposition procedure using molecular oxygen as an oxidizing agent. X-ray photoelectron spectroscopy results evidence that the iron-oxide surface is nearly stoichiometric magnetite. X-ray diffraction results indicate monocrystalline epitaxy and almost complete structural relaxation. Scanning transmission electron micrographs reveal that the microstructure consists of domains which are separated by antiphase boundaries or twin boundaries. The magnetite films show rather slow magnetization behavior in comparison with bulk crystals probably due to reduced magnetization at antiphase boundaries in small applied fields.
Address
Corporate Author Thesis
Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
Language Wos 000286009800055 Publication Date 2011-01-07
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 27 Open Access
Notes The authors acknowledge financial support by DFG through Forschergruppe FOR 1162. Approved Most recent IF: 3.411; 2011 IF: 3.844
Call Number UA @ lucian @ c:irua:88653 Serial 3532
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Author Milošević, M.V.; Gillijns, W.; Silhanek, A.V.; Libál, A.; Peeters, F.M.; Moshchalkov, V.V.
Title Guided nucleation of superconductivity on a graded magnetic substrate Type A1 Journal article
Year 2010 Publication Applied physics letters Abbreviated Journal Appl Phys Lett
Volume 96 Issue 3 Pages 032503,1-032503,3
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract (down) We demonstrate the controlled spatial nucleation of superconductivity in a thin film deposited on periodic arrays of ferromagnetic dots with gradually increasing diameter. The perpendicular magnetization of the dots induces vortex-antivortex molecules in the sample, with the number of (anti)vortices increasing with magnet size. The resulting gradient of antivortex density between the dots predetermines local nucleation of superconductivity in the sample as a function of the applied external field and temperature. In addition, the compensation between the applied magnetic field and the antivortices results in an unprecedented enhancement of the critical temperature.
Address
Corporate Author Thesis
Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
Language Wos 000273890500034 Publication Date 2010-01-22
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 15 Open Access
Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl), the Belgian Science Policy (IAP), and the ESF-NES program. W. G., A. V. S., and A. L. acknowledge individual support from FWO-Vlaanderen. ; Approved Most recent IF: 3.411; 2010 IF: 3.841
Call Number UA @ lucian @ c:irua:81504 Serial 1400
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Author Vagov, A.; Glaessl, M.; Croitoru, M.D.; Axt, V.M.; Kuhn, T.
Title Competition between pure dephasing and photon losses in the dynamics of a dot-cavity system Type A1 Journal article
Year 2014 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 90 Issue 7 Pages 075309
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract (down) We demonstrate that in quantum-dot cavity systems, the interplay between acoustic phonons and photon losses introduces novel features and characteristic dependencies in the system dynamics. In particular, the combined action of both dephasing mechanisms strongly affects the transition from the weak-to the strong-coupling regime as well as the shape of the spectral triplet that represents the quantum-dot occupation in Fourier space. The width of the central peak in the triplet is expected to decrease with rising temperature, while the widths and heights of the side peaks depend nonmonotonically on the dot-cavity coupling.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000341258700002 Publication Date 2014-08-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 11 Open Access
Notes ; We acknowledge fruitful discussions with A. Nazir which helped us to more clearly formulate the relation between our phenomenological approach and the microscopic theory. M.D.C. further acknowledges Alexander von Humboldt and BELSPO grants for support. Financial support from the Deutsche Forschungsgemeinschaft (Grant No. AX 17/7-1) is also gratefully acknowledged. ; Approved Most recent IF: 3.836; 2014 IF: 3.736
Call Number UA @ lucian @ c:irua:119257 Serial 437
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Author van Huis, M.A.; Figuerola, A.; Fang, C.; Béché, A.; Zandbergen, H.W.; Manna, L.
Title Letter Chemical transformation of Au-tipped CdS nanorods into AuS/Cd core/shell particles by electron beam irradiation Type A1 Journal article
Year 2011 Publication Nano letters Abbreviated Journal Nano Lett
Volume 11 Issue 11 Pages 4555-4561
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract (down) We demonstrate that electron irradiation of colloidal CdS nanorods carrying Au domains causes their evolution into AuS/Cd core/shell nanoparticles as a result of a concurrent chemical and morphological transformation. The shrinkage of the CdS nanorods and the growth of the Cd shell around the Au tips are imaged in real time, while the displacement of S atoms from the CdS nanorod to the Au domains is evidenced by high-sensitivity energy-dispersive X-ray (EDX) spectroscopy. The various nanodomains display different susceptibility to the irradiation, which results in nanoconfigurations that are very different from those obtained after thermal annealing. Such physical manipulations of colloidal nanocrystals can be exploited as a tool to access novel nanocrystal heterostructures.
Address
Corporate Author Thesis
Publisher Place of Publication Washington Editor
Language Wos 000296674700009 Publication Date 2011-10-13
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1530-6984;1530-6992; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 12.712 Times cited 25 Open Access
Notes Approved Most recent IF: 12.712; 2011 IF: 13.198
Call Number UA @ lucian @ c:irua:93710 Serial 1814
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Author Kuo, C.-T.; Lin, S.-C.; Ghiringhelli, G.; Peng, Y.; De Luca, G.M.; Di Castro, D.; Betto, D.; Gehlmann, M.; Wijnands, T.; Huijben, M.; Meyer-Ilse, J.; Gullikson, E.; Kortright, J.B.; Vailionis, A.; Gauquelin, N.; Verbeeck, J.; Gerber, T.; Balestrino, G.; Brookes, N.B.; Braicovich, L.; Fadley, C.S.
Title Depth-resolved resonant inelastic x-ray scattering at a superconductor/half-metallic-ferromagnet interface through standing wave excitation Type A1 Journal article
Year 2018 Publication Physical review B Abbreviated Journal Phys Rev B
Volume 98 Issue 23 Pages 235146
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract (down) We demonstrate that combining standing wave (SW) excitation with resonant inelastic x-ray scattering (RIXS) can lead to depth resolution and interface sensitivity for studying orbital and magnetic excitations in correlated oxide heterostructures. SW-RIXS has been applied to multilayer heterostructures consisting of a superconductor La1.85Sr0.15CuO4 (LSCO) and a half-metallic ferromagnet La0.67Sr0.33MnO3 (LSMO). Easily observable SW effects on the RIXS excitations were found in these LSCO/LSMO multilayers. In addition, we observe different depth distribution of the RIXS excitations. The magnetic excitations are found to arise from the LSCO/LSMO interfaces, and there is also a suggestion that one of the dd excitations comes from the interfaces. SW-RIXS measurements of correlated-oxide and other multilayer heterostructures should provide unique layer-resolved insights concerning their orbital and magnetic excitations, as well as a challenge for RIXS theory to specifically deal with interface effects.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000454160800004 Publication Date 2018-12-21
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 5 Open Access
Notes J.V. and N.G. acknowledge ˝ funding through the GOA project “Solarpaint” of the University of Antwerp. The microscope used in this work was partly funded by the Hercules Fund from the Flemish Government. Approved Most recent IF: 3.836
Call Number UA @ admin @ c:irua:156784 Serial 5363
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Author Karakulina, O.M.; Demortière, A.; Dachraoui, W.; Abakumov, A.M.; Hadermann, J.
Title In Situ Electron Diffraction Tomography Using a Liquid-Electrochemical Transmission Electron Microscopy Cell for Crystal Structure Determination of Cathode Materials for Li-Ion batteries Type A1 Journal article
Year 2018 Publication Nano letters Abbreviated Journal Nano Lett
Volume 18 Issue 10 Pages 6286-6291
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract (down) We demonstrate that changes in the unit cell structure of lithium battery cathode materials during electrochemical cycling in liquid electrolyte can be determined for particles of just a few hundred nanometers in size using in situ transmission electron microscopy (TEM). The atomic coordinates, site occupancies (including lithium occupancy), and cell parameters of the materials can all be reliably quantified. This was achieved using electron diffraction tomography (EDT) in a sealed electrochemical cell with conventional liquid electrolyte (LP30) and LiFePO4 crystals, which have a well-documented charged structure to use as reference. In situ EDT in a liquid environment cell provides a viable alternative to in situ X-ray and neutron diffraction experiments due to the more local character of TEM, allowing for single crystal diffraction data to be obtained from multiphased powder samples and from submicrometer- to nanometer-sized particles. EDT is the first in situ TEM technique to provide information at the unit cell level in the liquid environment of a commercial TEM electrochemical cell. Its application to a wide range of electrochemical experiments in liquid environment cells and diverse types of crystalline materials can be envisaged.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000447355400024 Publication Date 2018-10-10
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1530-6984 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 12.712 Times cited 12 Open Access Not_Open_Access: Available from 08.09.2019
Notes O.M. Karakulina, A.M. Abakumov and J. Hadermann acknowledge support from FWO under grant G040116N. A. Demortière wants to thank the French network on the electrochemical energy storage (RS2E), the Store-Ex Labex, for the financial support. Finally, the Fonds Européen de Développement Régional (FEDER), CNRS, Région Hauts-de-France, and Ministère de l’Education Nationale de l’Enseignement Supérieur et de la Recherche are acknowledged for funding. Approved Most recent IF: 12.712
Call Number EMAT @ emat @c:irua:154750 Serial 5063
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Author Turner, S.; Egoavil, R.; Batuk, M.; Abakumov, A.A.; Hadermann, J.; Verbeeck, J.; Van Tendeloo, G.
Title Site-specific mapping of transition metal oxygen coordination in complex oxides Type A1 Journal article
Year 2012 Publication Applied physics letters Abbreviated Journal Appl Phys Lett
Volume 101 Issue 24 Pages 241910
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract (down) We demonstrate site-specific mapping of the oxygen coordination number for transition metals in complex oxides using atomically resolved electron energy-loss spectroscopy in an aberration-corrected scanning transmission electron microscope. Pb2Sr2Bi2Fe6O16 contains iron with a constant Fe3+ valency in both octahedral and tetragonal pyramidal coordination and is selected to demonstrate the principle of site-specific coordination mapping. Analysis of the site-specific Fe-L2,3 data reveals distinct variations in the fine structure that are attributed to Fe in a six-fold (octahedron) or five-fold (distorted tetragonal pyramid) oxygen coordination. Using these variations, atomic resolution coordination maps are generated that are in excellent agreement with simulations.
Address
Corporate Author Thesis
Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
Language Wos 000312490000035 Publication Date 2012-12-12
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 12 Open Access
Notes Fwo; Countatoms; Vortex; Esteem 312483; esteem2jra3 ECASJO; Approved Most recent IF: 3.411; 2012 IF: 3.794
Call Number UA @ lucian @ c:irua:105302UA @ admin @ c:irua:105302 Serial 3030
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Author Abakumov, A.M.; Batuk, D.; Hadermann, J.; Rozova, M.G.; Sheptyakov, D.V.; Tsirlin, A.A.; Niermann, D.; Waschowski, F.; Hemberger, J.; Van Tendeloo, G.; Antipov, E.V.
Title Antiferroelectric (Pb,Bi)1-xFe1+xO3-y perovskites modulated by crystallographic shear planes Type A1 Journal article
Year 2011 Publication Chemistry of materials Abbreviated Journal Chem Mater
Volume 23 Issue 2 Pages 255-265
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract (down) We demonstrate for the first time a possibility to vary the anion content in perovskites over a wide range through a long-range-ordered arrangement of crystallographic shear (CS) planes. Anion-deficient perovskites (Pb,Bi)1−xFe1+xO3−y with incommensurately modulated structures were prepared as single phases in the compositional range from Pb0.857Bi0.094Fe1.049O2.572 to Pb0.409Bi0.567Fe1.025O2.796. Using a combination of electron diffraction and high-resolution scanning transmission electron microscopy, we constructed a superspace model describing a periodic arrangement of the CS planes. The model was verified by refinement of the Pb0.64Bi0.32Fe1.04O2.675 crystal structure from neutron powder diffraction data ((3 + 1)D S.G. X2/m(α0γ), X = [1/2,1/2,1/2,1/2], a = 3.9082(1) Å, b = 3.90333(8) Å, c = 4.0900(1) Å, β = 91.936(2)°, q = 0.05013(4)a* + 0.09170(3)c* at T = 700 K, RP = 0.036, RwP = 0.048). The (Pb,Bi)1−xFe1+xO3−y structures consist of perovskite blocks separated by CS planes confined to nearly the (509)p perovskite plane. Along the CS planes, the perovskite blocks are shifted with respect to each other over the 1/2[110]p vector that transforms the corner-sharing connectivity of the FeO6 octahedra in the perovskite framework to an edge-sharing connectivity of the FeO5 pyramids at the CS plane, thus reducing the oxygen content. Variation of the chemical composition in the (Pb,Bi)1−xFe1+xO3−y series occurs mainly because of a changing thickness of the perovskite block between the interfaces, that can be expressed through the components of the q vector as Pb6γ+2αBi1−7γ−αFe1+γ−αO3−3γ−α. The Pb, Bi, and Fe atoms are subjected to strong displacements occurring in antiparallel directions on both sides of the perovskite blocks, resulting in an antiferroelectric-type structure. This is corroborated by the temperature-, frequency-, and field-dependent complex permittivity measurements. Pb0.64Bi0.32Fe1.04O2.675 demonstrates a remarkably high resistivity >0.1 T Ω cm at room temperature and orders antiferromagnetically below TN = 608(10) K.
Address
Corporate Author Thesis
Publisher Place of Publication Washington, D.C. Editor
Language Wos 000286160800018 Publication Date 2010-12-23
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0897-4756;1520-5002; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 9.466 Times cited 29 Open Access
Notes Approved Most recent IF: 9.466; 2011 IF: 7.286
Call Number UA @ lucian @ c:irua:88651 Serial 136
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Author Silhanek, A.V.; Milošević, M.V.; Kramer, R.B.G.; Berdiyorov, G.R.; Vondel van de, J.; Luccas, R.F.; Puig, T.; Peeters, F.M.; Moshchalkov, V.V.
Title Formation of stripelike flux patterns obtained by freezing kinematic vortices in a superconducting Pb film Type A1 Journal article
Year 2010 Publication Physical review letters Abbreviated Journal Phys Rev Lett
Volume 104 Issue 1 Pages
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract (down) We demonstrate experimentally and theoretically that the dissipative state of superconducting samples with a periodic array of holes at high current densities consists of flux rivers resulting from a short-range attractive interaction between vortices. This dynamically induced vortex-vortex attraction results from the migration of quasiparticles out of the vortex core (kinematic vortices). We have directly visualized the formation of vortex chains by scanning Hall probe microscopy after freezing the dynamic state by a field cooling procedure at a constant bias current. Similar experiments carried out in a sample without holes show no hint of flux river formation. We shed light on this nonequilibrium phenomena modeled by time-dependent Ginzburg-Landau simulations.
Address
Corporate Author Thesis
Publisher Place of Publication New York, N.Y. Editor
Language Wos 000273881900033 Publication Date 2010-01-07
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0031-9007;1079-7114; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 8.462 Times cited 60 Open Access
Notes ; This work was supported by Methusalem funding by the Flemish government, the Flemish Science Foundation (FWO-VI), the Belgian Science Policy, and the ESF NES network. A. V. S., G. R. B., and J. V. d. V. acknowledge support from FWO-VI R. F. L. acknowledges support from I3P CSIC program and MAT2008-01022. ; Approved Most recent IF: 8.462; 2010 IF: 7.622
Call Number UA @ lucian @ c:irua:81009 Serial 1265
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Author Silhanek, A.V.; Kramer, R.G.B.; van de Vondel, J.; Moshchalkov, V.V.; Milošević, M.V.; Berdiyorov, G.R.; Peeters, F.M.; Luccas, R.F.; Puig, T.
Title Freezing vortex rivers Type A1 Journal article
Year 2010 Publication Physica: C : superconductivity Abbreviated Journal Physica C
Volume 470 Issue 19 Pages 726-729
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract (down) We demonstrate experimentally and theoretically that the dissipative state at high current densities of superconducting samples with a periodic array of holes consist of flux rivers resulting from a short range attractive interaction between vortices. This dynamically induced vortexvortex attraction results from the migration of quasiparticles out of the vortex core. We have directly visualized the formation of vortex chains by scanning Hall microscopy after freezing the dynamic state by a field cooling procedure at constant bias current. Similar experiments carried out in a sample without holes show no hint of flux river formation.
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000282454400004 Publication Date 2010-03-08
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0921-4534; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.404 Times cited 4 Open Access
Notes ; ; Approved Most recent IF: 1.404; 2010 IF: 1.415
Call Number UA @ lucian @ c:irua:85032 Serial 1278
Permanent link to this record
 
 
Author Nasirpouri, F.; Engbarth, M.A.; Bending, S.J.; Peter, L.M.; Knittel, A.; Fangohr, H.; Milošević, M.V.
Title Three-dimensional ferromagnetic architectures with multiple metastable states Type A1 Journal article
Year 2011 Publication Applied physics letters Abbreviated Journal Appl Phys Lett
Volume 98 Issue 22 Pages 222506,1-222506,3
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract (down) We demonstrate controllable dual-bath electrodeposition of nickel on architecture-tunable three-dimensional (3D) silver microcrystals. Magnetic hysteresis loops of individual highly faceted Ag-Ni core-shell elements reveal magnetization reversal that comprises multiple sharp steps corresponding to different stable magnetic states. Finite-element micromagnetic simulations on smaller systems show several jumps during magnetization reversal which correspond to transitions between different magnetic vortex states. Structures of this type could be realizations of an advanced magnetic data storage architecture whereby each element represents one multibit, storing a combination of several conventional bits depending on the overall number of possible magnetic states associated with the 3D core-shell shape.
Address
Corporate Author Thesis
Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
Language Wos 000291405700044 Publication Date 2011-06-03
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 8 Open Access
Notes ; This work was supported by EPSRC in the U.K. under Grant Nos. EP/E039944/1 and EP/E040063/1, DYNAMAG project (EU FP7/2007-2013 Grant No. 233552), and FWO-Vlaanderen. ; Approved Most recent IF: 3.411; 2011 IF: 3.844
Call Number UA @ lucian @ c:irua:90008 Serial 3652
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Author Borkowski, R.; Straub, M.; Ou, Y.; Lefevre, Y.; Jelić, Ž.L.; Lanneer, W.; Kaneda, N.; Mahadevan, A.; Hueckstaedt, V.; van Veen, D.; Houtsma, V.; Coomans, W.; Bonk, R.; Maes, J.
Title FLCS-PON : a 100 Gbit/s flexible passive optical network: concepts and field trial Type A1 Journal article
Year 2021 Publication Journal Of Lightwave Technology Abbreviated Journal J Lightwave Technol
Volume 39 Issue 16 Pages 5314-5324
Keywords A1 Journal article; Mass communications; Condensed Matter Theory (CMT)
Abstract (down) We demonstrate concepts and results of a field trial for a flexible-rate passive optical network (FLCS-PON), which delivers bitrates up to 100 Gbit/s and allows for adaptations in the transmission method to match the users' channel conditions and optimize throughput. FLCS-PON builds on top of the hardware ecosystem that will be developed for ITU-T 50 Gbit/s PON and employs three new ingredients: optical network unit (ONU) grouping, flexible modulation format, and flexible forward error correction (FEC) code rate. Together, these techniques take advantage of the optical distribution network (ODN) statistics to realize a system capable of more than twofold throughput increase compared to the upcoming 50 Gbit/s PON, but still able to support a full array of deployed fiber edge cases, which are problematic for legacy PONs. In this paper we explain the concepts behind enabling techniques of FLCS-PON. We then report on a field trial over a deployed fiber infrastructure, using a system consisting of one FLCS-PON OLT and two ONUs. We report both pre- and post-forward-error-correction (post-FEC) performance of our system, demonstrating achievable net bitrate over an operator's fiber infrastructure. We realize a downlink transmission at double the speed of ITU-T 50 Gbit/s PON for ONUs exhibiting lower optical path loss (OPL), while simultaneously continue to support ONUs at high OPLs. We additionally realize a record-high 31.5 dB loss budget for 100 Gbit/s transmission using a direct-detection ONU with an optical preamplifier.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000692209800017 Publication Date 2021-08-06
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0733-8724 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.671 Times cited Open Access Not_Open_Access
Notes Approved Most recent IF: 3.671
Call Number UA @ admin @ c:irua:181586 Serial 6995
Permanent link to this record
 
 
Author Miglio, A.; Saniz, R.; Waroquiers, D.; Stankovski, M.; Giantomassi, M.; Hautier, G.; Rignanese, G.-M.; Gonze, X.
Title Computed electronic and optical properties of SnO2 under compressive stress Type A1 Journal article
Year 2014 Publication Optical materials Abbreviated Journal Opt Mater
Volume 38 Issue Pages 161-166
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract (down) We consider the effects of three different types of applied compressive stress on the structural, electronic and optical properties of rutile SnO2. We use standard density functional theory (OFT) to determine the structural parameters. The effective masses and the electronic band gap, as well as their stress derivatives, are computed within both DFT and many-body perturbation theory (MBPT). The stress derivatives for the SnO2 direct band gap are determined to be 62, 38 and 25 meV/GPa within MBPT for applied hydrostatic, biaxial and uniaxial stress, respectively. Compared to DFT, this is a clear improvement with respect to available experimental data. We also estimate the exciton binding energies and their stress coefficients and compute the absorption spectrum by solving the Bethe-Salpeter equation. (C) 2014 Elsevier B.V. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000346228800028 Publication Date 2014-11-08
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0925-3467; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.238 Times cited 6 Open Access
Notes ; This work was supported by the FRS-FNRS through a FRIA grant (D.W.) and a FNRS grant (G.H.). This work was also supported by the IWT Project Number 080023 (ISIMADE), the Region Wallonne through WALL-ETSF project Number 816849, the EU-FP7 HT4TCOS Grant No. PCIG11-GA-2912-321988, the FRS-FNRS through contracts FRFC Number 2.4.589.09.F and AIXPHO (PDR Grant T-0238.13). The authors would like to thank Yann Pouillon and Jean-Michel Beuken for their valuable technical support and help with the test and build system of ABINIT. Computational resources have been provided by the supercomputing facilities of the Universite catholique de Louvain (CISM/UCL) and the Consortium des Equipements de Calcul Intensif en Federation Wallonie Bruxelles (CECI) funded by the Fonds de la Recherche Scientifique de Belgique (FRS-FNRS) under Grant No. 2.5020.11. ; Approved Most recent IF: 2.238; 2014 IF: 1.981
Call Number UA @ lucian @ c:irua:122747 Serial 460
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Author Tomecka, D.M.; Kamieniarz, G.; Partoens, B.; Peeters, F.M.
Title Ground state configurations and melting of two-dimensional non-uniformly charged classical clusters Type A1 Journal article
Year 2009 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat
Volume 21 Issue 15 Pages 155301,1-155301,7
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract (down) We consider classical two-dimensional (2D) Coulomb clusters consisting of two species containing five particles with charge q1 and five with charge q2, respectively. Using Monte Carlo and molecular dynamics (MD) simulations, we investigated the ground state configurations as well as radial and angular displacements of particles as a function of temperature and their dependence on the ratio q = q2/q1. We found new configurations and a new multi-step melting behavior for q sufficiently different from the uniform charge limit q = 1.
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos 000264708600007 Publication Date 2009-03-18
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 2 Open Access
Notes Approved Most recent IF: 2.649; 2009 IF: 1.964
Call Number UA @ lucian @ c:irua:76412 Serial 1384
Permanent link to this record
 
 
Author Szaszko-Bogar, V.; Peeters, F.M.; Foeldi, P.
Title Oscillating spin-orbit interaction in two-dimensional superlattices : sharp transmission resonances and time-dependent spin-polarized currents 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 235311
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract (down) We consider ballistic transport through a lateral, two-dimensional superlattice with experimentally realizable, sinusoidally oscillating, Rashba-type spin-orbit interaction (SOI). The periodic structure of the rectangular lattice produces a spin-dependent miniband structure for static SOI. Using Floquet theory, transmission peaks are shown to appear in themini-bandgaps as a consequence of the additional, time-dependent SOI. A detailed analysis shows that this effect is due to the generation of harmonics of the driving frequency, via which, e.g., resonances that cannot be excited in the case of static SOI become available. Additionally, the transmitted current shows space-and time-dependent partial spin polarization, in other words, polarization waves propagate through the superlattice.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000355956500003 Publication Date 2015-06-10
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 10 Open Access
Notes ; This work was partially supported by the European Union and the European Social Fund through Projects No. TAMOP-4.2.2.C-11/1/KONV-2012-0010 and No. TAMOP-4.2.2.A-11/1/KONV-2012-0060, and by the Hungarian Scientific Research Fund (OTKA) under Contracts No. T81364 and No. 116688. The ELI-ALPS Project (GOP-1.1.1-12/B-2012-0001) is supported by the European Union and cofinanced by the European Regional Development Fund. ; Approved Most recent IF: 3.836; 2015 IF: 3.736
Call Number c:irua:126432 Serial 2534
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Author 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 (down) 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 Carvalho, J.C.N.; Ferreira, W.P.; Farias, G.A.; Peeters, F.M.
Title Yukawa particles confined in a channel and subject to a periodic potential : ground state and normal modes Type A1 Journal article
Year 2011 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 83 Issue 9 Pages 094109-094109,12
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract (down) We consider a classical system of two-dimensional (2D) charged particles, interacting through a repulsive Yukawa potential exp(-r/λ)/r, and confined in a parabolic channel that limits the motion of the particles in the y direction. Along the x direction, the particles are subject to a periodic potential. The ground-state configurations and the normal-mode spectra of the system are obtained as a function of the periodicity and strength of the periodic potential (V0) and density. An interesting set of tunable ground-state configurations are found, with first- or second-order structural transitions between them. A configuration with particles aligned, perpendicular to the x direction, in each minimum of the periodic potential is obtained for V0 larger than some critical value that has a power-law dependence on the density. The phonon spectrum of different configurations was also calculated. A localization of the modes into a small frequency interval is observed for sufficiently large strength of the periodic potential, and a tunable gap in the phonon spectrum is found as a function of V0.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000288119700001 Publication Date 2011-03-08
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
Notes ; This work was supported by the Brazilian agencies CNPq and FUNCAP (PRONEX-Grant), and the bilateral projects between Flanders and Brazil and the Flemish Science Foundation (FWO-VI) and CNPq. ; Approved Most recent IF: 3.836; 2011 IF: 3.691
Call Number UA @ lucian @ c:irua:88779 Serial 3928
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Author Berdiyorov, G.R.; Peeters, F.M.; Hamoudi, H.
Title Effect of edge groups on the electronic transport properties of tetrapodal diazatriptycene molecule Type A1 Journal article
Year 2022 Publication Physica. E: Low-dimensional systems and nanostructures Abbreviated Journal Physica E
Volume 141 Issue Pages 115212-115216
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract (down) We conduct ballistic transport calculations to study the electronic transport properties of diazatriptycene molecule which can be self-assembled on metallic surfaces with uniform coverage and upright orientation of the functional head group. Due to its structural asymmetry, the molecule shows a clear current rectification, where the level of the rectification depends on the nature of the head group. For example, current rectification can be increased by more than a factor of 2 by anchoring the molecules to the electrode by CN functional group or introducing insulating CH2 group between the thiol end group and the adjacent phenyl ring. Our findings show the possibility of creating self-assembled monolayer of DAT molecules with controlled electronic transport properties through functionalization of the head group.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000806548600006 Publication Date 2022-03-04
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1386-9477 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.3 Times cited 2 Open Access Not_Open_Access
Notes Approved Most recent IF: 3.3
Call Number UA @ admin @ c:irua:189041 Serial 7147
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Author Schowalter, M.; Rosenauer, A.; Titantah, J.T.; Lamoen, D.
Title Temperature-dependent Debye-Waller factors for semiconductors with the wurtzite-type structure Type A1 Journal article
Year 2009 Publication Acta crystallographica: section A: foundations of crystallography Abbreviated Journal Acta Crystallogr A
Volume 65 Issue Pages 227-231
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract (down) We computed Debye-Waller factors in the temperature range from 0.1 to 1000 K for AlN, GaN, InN, ZnO and CdO with the wurtzite-type structure. The Debye-Waller factors were derived from phonon densities of states obtained from Hellmann-Feynman forces computed within the density-functional-theory formalism. The temperature dependences of the Debye-Waller factors were fitted and fit parameters are given.
Address
Corporate Author Thesis
Publisher Place of Publication Copenhagen Editor
Language Wos 000264927100006 Publication Date 2009-03-12
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0108-7673; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 5.725 Times cited 23 Open Access
Notes Fwo G.0425.05; Esteem 026019 Approved Most recent IF: 5.725; 2009 IF: 49.926
Call Number UA @ lucian @ c:irua:74565 Serial 3497
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Author Tiwari, S.; Vanherck, J.; Van de Put, M.L.; Vandenberghe, W.G.; Sorée, B.
Title Computing Curie temperature of two-dimensional ferromagnets in the presence of exchange anisotropy Type A1 Journal article
Year 2021 Publication Physical review research Abbreviated Journal
Volume 3 Issue 4 Pages 043024
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract (down) We compare three first-principles methods of calculating the Curie temperature in two-dimensional (2D) ferromagnetic materials (FM), modeled using the Heisenberg model, and propose a simple formula for estimating the Curie temperature with high accuracy that works for all common 2D lattice types. First, we study the effect of exchange anisotropy on the Curie temperature calculated using the Monte Carlo (MC), the Green's function, and the renormalized spin-wave (RNSW) methods. We find that the Green's function method overestimates the Curie temperature in high-anisotropy regimes compared to the MC method, whereas the RNSW method underestimates the Curie temperature compared to the MC and the Green's function methods. Next, we propose a closed-form formula for calculating the Curie temperature of 2D FMs, which provides an estimate of the Curie temperature that is greatly improved over the mean-field expression for magnetic material screening. We apply the closed-form formula to predict the Curie temperature 2D magnets screened from the C2DB database and discover several high Curie temperature FMs, with Fe2F2 and MoI2 emerging as the most promising 2D ferromagnets. Finally, by comparing to experimental results for CrI3, CrCl3, and CrBr3, we conclude that for small effective anisotropies, the Green's-function-based equations are preferable, while for larger anisotropies, MC-based results are more predictive.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000707506500001 Publication Date 2021-10-11
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited Open Access OpenAccess
Notes Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:182522 Serial 6975
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Author Deylgat, E.; Chen, E.; Fischetti, M.V.; Sorée, B.; Vandenberghe, W.G.
Title Image-force barrier lowering in top- and side-contacted two-dimensional materials Type A1 Journal article
Year 2022 Publication Solid state electronics Abbreviated Journal Solid State Electron
Volume 198 Issue Pages 108458-4
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract (down) We compare the image-force barrier lowering (IFBL) and calculate the resulting contact resistance for four different metal-dielectric-two-dimensional (2D) material configurations. We analyze edge contacts in three different geometries (a homogeneous dielectric throughout, including the 2D layer; a homogeneous dielectric surrounding the 2D layer, both ungated and back gated) and also a top-contact assuming a homogeneous dielectric. The image potential energy of each configuration is determined and added to the Schottky energy barrier which is calculated assuming a textbook Schottky potential. For each configuration, the contact resistivity is calculated using the WKB approximation and the effective mass approximation using either SiO2 or HfO2 as the surrounding dielectric. We obtain the lowest contact resistance of 1 k Omega mu m by n-type doping an edge contacted transition metal-dichalcogenide (TMD) monolayer, sandwiched between SiO2 dielectric, with similar to 1012 cm-2 donor atoms. When this optimal configuration is used, the contact resistance is lowered by a factor of 50 compared to the situation when the IFBL is not considered.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000876289800003 Publication Date 2022-09-22
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0038-1101 ISBN Additional Links UA library record; WoS full record
Impact Factor 1.7 Times cited Open Access Not_Open_Access
Notes Approved Most recent IF: 1.7
Call Number UA @ admin @ c:irua:191556 Serial 7312
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Author Petrovic, M.D.; Milovanović, S.P.; Peeters, F.M.
Title Scanning gate microscopy of magnetic focusing in graphene devices : quantum versus classical simulation Type A1 Journal article
Year 2017 Publication Nanotechnology Abbreviated Journal Nanotechnology
Volume 28 Issue 28 Pages 185202
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract (down) We compare classical versus quantum electron transport in recently investigated magnetic focusing devices (Bhandari et al 2016 Nano Lett. 16 1690) exposed to the perturbing potential of a scanning gate microscope (SGM). Using the Landauer-Buttiker formalism for a multi-terminal device, we calculate resistance maps that are obtained as the SGM tip is scanned over the sample. There are three unique regimes in which the scanning tip can operate (focusing, repelling, and mixed regime) which are investigated. Tip interacts mostly with electrons with cyclotron trajectories passing directly underneath it, leaving a trail of modified current density behind it. Other (indirect) trajectories become relevant when the tip is placed near the edges of the sample, and current is scattered between the tip and the edge. We point out that, in contrast to SGM experiments on gapped semiconductors, the STM tip can induce a pn junction in graphene, which improves contrast and resolution in SGM. We also discuss possible explanations for spatial asymmetry of experimentally measured resistance maps, and connect it with specific configurations of the measuring probes.
Address
Corporate Author Thesis
Publisher Place of Publication Bristol Editor
Language Wos 000399273800001 Publication Date 2017-03-17
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0957-4484 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.44 Times cited 7 Open Access
Notes ; This work was supported by the Methusalem program of the Flemish government. ; Approved Most recent IF: 3.44
Call Number UA @ lucian @ c:irua:143639 Serial 4607
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Author Schowalter, M.; Rosenauer, A.; Titantah, J.T.; Lamoen, D.
Title Computation and parametrization of the temperature dependence of Debye-Waller factors for group IV, III-V and II-VI semiconductors Type A1 Journal article
Year 2009 Publication Acta crystallographica: section A: foundations of crystallography Abbreviated Journal Acta Crystallogr A
Volume 65 Issue 1 Pages 5-17
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract (down) We calculated the temperature dependence of the Debye-Waller factors for a variety of group IV, III-V and II-VI semiconductors from 0.1 to 1000 K. The approach used to fit the temperature dependence is described and resulting fit parameters are tabulated for each material. The Debye-Waller factors are deduced from generalized phonon densities of states which were derived from first principles using the WIEN2k and the ABINIT codes.
Address
Corporate Author Thesis
Publisher Place of Publication Copenhagen Editor
Language Wos 000261799500002 Publication Date 2008-11-05
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0108-7673; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 5.725 Times cited 51 Open Access
Notes Fwo G.0425.05; Esteem 026019 Approved Most recent IF: 5.725; 2009 IF: 49.926
Call Number UA @ lucian @ c:irua:72918 Serial 453
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Author Çakir, D.; Otalvaro, D.M.; Brocks, G.
Title From spin-polarized interfaces to giant magnetoresistance in organic spin valves Type A1 Journal article
Year 2014 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 89 Issue 11 Pages 115407
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract (down) We calculate the spin-polarized electronic transport through a molecular bilayer spin valve from first principles, and establish the link between the magnetoresistance and the spin-dependent interactions at the metal-molecule interfaces. The magnetoresistance of a Fe vertical bar bilayer-C-70 vertical bar Fe spin valve attains a high value of 70% in the linearresponse regime, but it drops sharply as a function of the applied bias. The current polarization has a value of 80% in linear response and also decreases as a function of bias. Both these trends can be modeled in terms of prominent spin-dependent Fe vertical bar C-70 interface states close to the Fermi level, unfolding the potential of spinterface science to control and optimize spin currents.
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000332504900007 Publication Date 2014-03-10
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 14 Open Access
Notes ; ; Approved Most recent IF: 3.836; 2014 IF: 3.736
Call Number UA @ lucian @ c:irua:128321 Serial 4596
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Author de Sena, S.H.R.; Pereira, J.M.; Peeters, F.M.; Farias, G.A.
Title Topological confinement in trilayer graphene Type A1 Journal article
Year 2014 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 89 Issue 3 Pages 035420-35425
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract (down) We calculate the spectrum of states that are localized at the interface between two regions of opposite bias in trilayer graphene (TLG). These potential profiles, also known as potential kinks, have been predicted to support two different branches of localized states for the case of bilayer graphene, and show similarities to the surface states of topological insulators. On the other hand, we found that ABC stacked TLG exhibits three different unidimensional branches of states in each valley that are confined to the kink interface. They have the property E(k(y)) = -E(-k(y)) when belonging to the same valley and E-K(k(y)) = -E-K' (-k(y)). A kink-antikink potential profile opens a gap in the spectrum of these one-dimensional states.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000332220800005 Publication Date 2014-01-21
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 4 Open Access
Notes ; This work was supported by the Brazilian Council for Research (CNPq-PRONEX), the Flemish Science Foundation (FWO-Vl), and the Bilateral project between CNPq and FWO-Vl and the Brazilian program Science Without Borders (CsF). ; Approved Most recent IF: 3.836; 2014 IF: 3.736
Call Number UA @ lucian @ c:irua:115830 Serial 3676
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Author Nogaret, A.; Peeters, F.M.
Title Electrically induced spin resonance fluorescence: 1: theory Type A1 Journal article
Year 2007 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 76 Issue 7 Pages
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract (down) We calculate the fluorescence of electron spins confined to a plane and driven into resonance by a magnetic field gradient and a constant magnetic field applied at right angles to each other. We solve the equation of motion of two-dimensional electrons in the magnetic field gradient to derive the dispersion curve of spin oscillators, the amplitude of electron oscillations, the effective magnetic field sensed by the electron spin, and the rate at which electrons are injected from an electrode into spin oscillators. We then switch on the interaction between the spin magnetic dipole and the electromagnetic field to find the fluorescence power radiated by the individual spin oscillators. The rate of radiative decay is first derived, followed by the probability of sequential photon emission whereby a series of spontaneous decays occurs at random times separated by intervals during which the spin performs Rabi oscillations. The quantum correlations between random radiative decays manifest as bursts of emission at regular intervals along the wire. We integrate all multiphoton processes to obtain an exact analytical expression for the radiated electromagnetic power. The present theory obtains all parameters of the problem including magnetodipole coupling, the particle dwell time in the magnetic field gradient, and the spin polarization of the incoming current. The output power contains a fine structure arising from the anharmonicity of electron oscillations and from nonlinear optical effects which both give satellite emission peaks at odd multiples of the fundamental frequency.
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000249155300091 Publication Date 2007-08-09
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 8 Open Access
Notes Approved Most recent IF: 3.836; 2007 IF: 3.172
Call Number UA @ lucian @ c:irua:66117 Serial 897
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Author Chaves, A.; Low, T.; Avouris, P.; Çakir, D.; Peeters, F.M.
Title Anisotropic exciton Stark shift in black phosphorus 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 155311
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract (down) We calculate the excitonic spectrum of few-layer black phosphorus by direct diagonalization of the effective mass Hamiltonian in the presence of an applied in-plane electric field. The strong attractive interaction between electrons and holes in this system allows one to investigate the Stark effect up to very high ionizing fields, including also the excited states. Our results show that the band anisotropy in black phosphorus becomes evident in the direction-dependent field-induced polarizability of the exciton.
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000353459200005 Publication Date 2015-04-27
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 88 Open Access
Notes ; Discussions with J. M. Pereira Jr. and J. S. de Souza are gratefully acknowledged. This work was supported by the Brazilian Council for Research (CNPq) through the PQ and Science Without Borders programs, the Flemish Science Foundation (FWO-Vl), the Methusalem programme of the Flemish government, and the Bilateral program (CNPq-FWO) between Flanders and Brazil. ; Approved Most recent IF: 3.836; 2015 IF: 3.736
Call Number UA @ lucian @ c:irua:132506 Serial 4141
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Author Anisimovas, E.; Peeters, F.M.
Title Dynamic response of artificial bipolar molecules Type A1 Journal article
Year 2002 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 66 Issue 7 Pages 075311
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract (down) We calculate the equilibrium properties and the dynamic response of two vertically coupled circular quantum dots populated by particles of different electrical charge sign, i.e., electrons and holes. The equilibrium density profiles are obtained and used to compute the frequencies and oscillator strengths of magnetoplasma excitations. We find a strong coupling between the modes derived from the center-of-mass modes of the individual dots which leads to an anticrossing with a pronounced oscillator strength transfer from the “acoustic” to the “optical” branch. Also, due to the breaking of the generalized Kohn theorem a number of other than center-of-mass modes are excited whose oscillator strengths, however, are rather weak.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000177969800103 Publication Date 2002-10-01
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 9 Open Access
Notes Approved Most recent IF: 3.836; 2002 IF: NA
Call Number UA @ lucian @ c:irua:99397 Serial 765
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Author Tiwari, S.; Van de Put, M.L.; Sorée, B.; Vandenberghe, W.G.
Title Critical behavior of the ferromagnets CrI₃, CrBr₃, and CrGeTe₃ and the antiferromagnet FeCl₂ : a detailed first-principles study Type A1 Journal article
Year 2021 Publication Physical Review B Abbreviated Journal Phys Rev B
Volume 103 Issue 1 Pages 014432
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract (down) We calculate the Curie temperature of layered ferromagnets, chromium tri-iodide (CrI3), chromium tri-bromide (CrBr3), chromium germanium tri-telluride (CrGeTe3), and the Ned temperature of a layered antiferromagnet iron di-chloride (FeCl2), using first-principles density functional theory calculations and Monte Carlo simulations. We develop a computational method to model the magnetic interactions in layered magnetic materials and calculate their critical temperature. We provide a unified method to obtain the magnetic exchange parameters (J) for an effective Heisenberg Hamiltonian from first principles, taking into account both the magnetic ansiotropy as well as the out-of-plane interactions. We obtain the magnetic phase change behavior, in particular the critical temperature, from the susceptibility and the specific-heat, calculated using the three-dimensional Monte Carlo (METROPOLIS) algorithm. The calculated Curie temperatures for ferromagnetic materials (CrI3, CrBr3, and CrGeTe3), match well with experimental values. We show that the interlayer interaction in bulk CrI3 with R (3) over bar stacking is significantly stronger than the C2/m stacking, in line with experimental observations. We show that the strong interlayer interaction in R (3) over bar CrI3 results in a competition between the in-plane and the out-of-plane magnetic easy axes. Finally, we calculate the Ned temperature of FeCl2 to be 47 +/- 8 K and show that the magnetic phase transition in FeCl2 occurs in two steps with a high-temperature intralayer ferromagnetic phase transition and a low-temperature interlayer antiferromagnetic phase transition.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000609012000002 Publication Date 2021-01-20
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 Open Access OpenAccess
Notes ; The project or effort depicted was or is sponsored by the Department of Defense, Defense Threat Reduction Agency Grant No. HDTRA1-18-1-0018. The content of the information does not necessarily reflect the position or the policy of the federal government, and no official endorsement should be inferred. This work was supported by imec's Industrial Affiliation Program. ; Approved Most recent IF: 3.836
Call Number UA @ admin @ c:irua:176081 Serial 6686
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Author Bal, K.M.; Neyts, E.C.
Title Extending and validating bubble nucleation rate predictions in a Lennard-Jones fluid with enhanced sampling methods and transition state theory Type A1 Journal article
Year 2022 Publication Journal Of Chemical Physics Abbreviated Journal J Chem Phys
Volume 157 Issue 18 Pages 184113-10
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract (down) We calculate bubble nucleation rates in a Lennard-Jones fluid through explicit molecular dynamics simulations. Our approach-based on a recent free energy method (dubbed reweighted Jarzynski sampling), transition state theory, and a simple recrossing correction-allows us to probe a fairly wide range of rates in several superheated and cavitation regimes in a consistent manner. Rate predictions from this approach bridge disparate independent literature studies on the same model system. As such, we find that rate predictions based on classical nucleation theory, direct brute force molecular dynamics simulations, and seeding are consistent with our approach and one another. Published rates derived from forward flux sampling simulations are, however, found to be outliers. This study serves two purposes: First, we validate the reliability of common modeling techniques and extrapolation approaches on a paradigmatic problem in materials science and chemical physics. Second, we further test our highly generic recipe for rate calculations, and establish its applicability to nucleation processes.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000885260600002 Publication Date 2022-11-14
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0021-9606 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.4 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 4.4
Call Number UA @ admin @ c:irua:192076 Serial 7266
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