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Author Maignan, A.; Lebedev, O.I.; Van Tendeloo, G.; Martin, C.; Hebert, S.
Title Metal to insulator transition in the n-type hollandite vanadate Pb1.6V8O16 Type A1 Journal article
Year 2010 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume (up) 82 Issue 3 Pages 035122, 1-035122,5
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The transport and magnetic measurements of polycrystalline Pb1.6V8O16 hollandite reveal a concomitant metal to insulator and antiferromagnetic transition at TMI≈140 K. A clear localization is found below TMI, evidenced by a rapid increase in the absolute value of the negative Seebeck coefficient. The structural study by x-ray and transmission electron microscopy confirms the hollandite structure and shows that no structural transition occurs at TMI, ruling out a possible charge orbital ordering. The negative Seebeck coefficient observed from 50 K up to 900 K, with values reaching S=−38 μV K−1 at 900 K, is explained by the electron doping of ∼1.4e− in the V empty t2g orbitals responsible for the bad metal resistivity (ρ900 K∼2 mΩ cm). As this S value is close to that obtained by considering only the spin and orbital degeneracies, it is expected that |S| for such vanadates will not be sensitive at high temperature to the t2g band filling
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000280366300002 Publication Date 2010-07-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 10 Open Access
Notes Approved Most recent IF: 3.836; 2010 IF: 3.774
Call Number UA @ lucian @ c:irua:84065 Serial 2009
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Author Lei, C.H.; Van Tendeloo, G.; Amelinckx, S.
Title The microstructure of ordered Ba(Mg1/3Ta2/3)O3 Type A1 Journal article
Year 2002 Publication Philosophical magazine: A: physics of condensed matter: defects and mechanical properties Abbreviated Journal Philos Mag A
Volume (up) 82 Issue 2 Pages 349-367
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos 000173420400009 Publication Date 2002-07-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0141-8610;1460-6992; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 8 Open Access
Notes Iuap 4-10 Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:54753 Serial 2071
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Author Xu, W.; Dong, H.M.; Li, L.L.; Yao, J.Q.; Vasilopoulos, P.; Peeters, F.M.
Title Optoelectronic properties of graphene in the presence of optical phonon scattering Type A1 Journal article
Year 2010 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume (up) 82 Issue 12 Pages 125304-125304,9
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We study in detail the optoelectronic properties of graphene. Considering the electron interactions with photons and phonons, we employ the mass- and energy-balance equations to self-consistently evaluate the photoinduced carrier densities, the optical conductance, and the transmission coefficient in the presence of a linearly polarized radiation field. We demonstrate that the photoinduced carrier densities increase around the electron-photon-phonon resonant transition. They depend strongly on the radiation intensity and frequency, temperature, and dark carrier density. For short-wavelength radiation (L<3 μm), we obtain the universal optical conductance σ0=e2/(4ℏ). Importantly, there exists an optical-absorption window in the radiation wavelength range 4100 μm, which is induced by different transition energies required for interband and intraband optical absorption. The position and width of this window depend sensitively on the temperature and the carrier density of the system. These theoretical results are in line with recent experimental findings and indicate that graphene exhibits important features not only in the visible regime but also in the midinfrared bandwidth.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000281516500009 Publication Date 2010-09-03
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 28 Open Access
Notes ; This work was supported by the Chinese Academy of Sciences, National Natural Science Foundation of China, and Department of Science and Technology of Yunnan Province. ; Approved Most recent IF: 3.836; 2010 IF: 3.774
Call Number UA @ lucian @ c:irua:84260 Serial 2496
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Author Zha, G.-Q.; Covaci, L.; Zhou, S.-P.; Peeters, F.M.
Title Proximity-induced pseudogap in mesoscopic superconductor/normal-metal bilayers Type A1 Journal article
Year 2010 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume (up) 82 Issue 14 Pages 140502-140502,4
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Recent scanning tunneling microscopy (STM) measurements of the proximity effect in Au/La2−xSrxCuO4 and La1.55Sr0.45CuO4/La2−xSrxCuO4 bilayers showed a proximity-induced pseudogap [O. Yuli, I. Asulin, Y. Kalcheim, G. Koren, and O. Millo, Phys. Rev. Lett. 103, 197003 (2009)]. We describe the proximity effect in mesoscopic superconductor/normal-metal bilayers by using the Bogoliubov-de Gennes equations for a tight-binding Hamiltonian with competing antiferromagnetic and d-wave superconductivity orders. The temperature-dependent local density of states is calculated as a function of the distance from the interface. Bound state due to both d-wave and spin-density wave gaps are formed in the normal metal for energies less than the respective gaps. If there is a mismatch between the Fermi velocities in the two layers we observe that these states will shift in energy when spin-density wave order is present, thus inducing a minigap at finite energy. We conclude that the STM measurement in the proximity structures is able to distinguish between the two scenarios proposed for the pseudogap (competing or precursor to superconductivity).
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000282507200002 Publication Date 2010-10-05
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 7 Open Access
Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl), by Belgian Science Policy (IAP), by National Natural Science Foundation of China under Grants No. 10904089 and No. 60971053, by the Research Fund of Higher Education of China under Grant No. 20093108120005, by Shanghai Leading Academic Discipline project under Grant No. S30105, by Science and Technology Committee of Shanghai Municipal under Grant No. 09JC1406000, by Shanghai Municipal Education Committee under Grants No. shu-08053 and No. 10zz63, and by Innovation Funds of Shanghai University. ; Approved Most recent IF: 3.836; 2010 IF: 3.774
Call Number UA @ lucian @ c:irua:85028 Serial 2735
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Author Schattschneider, P.; Verbeeck, J.; Mauchamp, V.; Jaouen, M.; Hamon, A.-L.
Title Real-space simulations of spin-polarized electronic transitions in iron Type A1 Journal article
Year 2010 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume (up) 82 Issue 14 Pages 144418-144418,11
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract After the advent of energy-loss magnetic chiral dichroism (EMCD) in 2006, rapid progress in theoretical understanding and in experimental performance was achieved, recently demonstrating a spatial resolution of better than 2 nm. Similar to the x-ray magnetic circular dichroism technique, EMCD is used to study atom specific magnetic moments. The latest generation of electron microscopes opens the road to the mapping of spin moments on the atomic scale with this method. Here the theoretical background to reach this challenging aim is elaborated. Numerical simulations of the L3 transition in an Fe specimen, based on a combination of the density-matrix approach for inelastic electron scattering with the propagation of the probe electron in the lattice potential indicate the feasibility of single spin mapping in the electron microscope.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000282678900006 Publication Date 2010-10-08
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 11 Open Access
Notes P.S. acknowledges the support of the Austrian Science Fund, Project No. I543-N20. Approved Most recent IF: 3.836; 2010 IF: 3.774
Call Number UA @ lucian @ c:irua:85029UA @ admin @ c:irua:85029 Serial 2832
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Author Xu, B.; Milošević, M.V.; Peeters, F.M.
Title Second-order multiple-quanta flux entry into a perforated spherical mesoscopic superconductor Type A1 Journal article
Year 2010 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume (up) 82 Issue 21 Pages 214501-214501,7
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Flux entry in type-II superconductors without prominent symmetry is a first-order phase transition, where flux enters conventionally gradual in units of a flux quantum. Here we show that neither is necessarily the case in a mesoscopic superconducting sphere with a perforation. In axially applied magnetic field, vortices initially occupy the hole, and can oppose further flux entry in the sample. As a result, multiple-quanta flux entry is found at significantly higher field, and it can manifest as a second-order transition due to suppressed geometric barrier at the equatorial belt of the sample. At high fields a new state is found, with gradually destroyed condensate from the equator inwards, the exact opposite of surface superconductivity.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000286737800007 Publication Date 2010-12-02
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 2 Open Access
Notes ; This work was supported by the Flemish Science Foundation (FWO-V1), the Belgian Science Policy (IAP), and the ESF “Nanoscience and Engineering in Superconductivity” program. ; Approved Most recent IF: 3.836; 2010 IF: 3.774
Call Number UA @ lucian @ c:irua:88039 Serial 2957
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Author Földi, P.; Szaszkó-Bogár, V.; Peeters, F.M.
Title Spin-orbit interaction controlled properties of two-dimensional superlattices Type A1 Journal article
Year 2010 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume (up) 82 Issue 11 Pages 115302-115302,4
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The band structure of two-dimensional artificial superlattices in the presence of (Rashba-type) spin-orbit interaction (SOI) is presented. The position and shape of the energy bands in these spintronic crystals depend on the geometry as well as the strength of the SOI, which can be tuned by external gate voltages. For finite mesoscopic arrays, we show that their conductance properties and possible applications can be understood from these spin-dependent band diagrams.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000281516300005 Publication Date 2010-09-03
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 6 Open Access
Notes ; We thank M. G. Benedict and F. Bartha for useful discussions. This work was supported by the Flemish Science Foundation (FWO-Vl), the Belgian Science Policy (IAP) and the Hungarian Scientific Research Fund (OTKA) under Contracts No. T81364 and No. M045596. P.F. was supported by a J. Bolyai grant of the Hungarian Academy of Sciences. ; Approved Most recent IF: 3.836; 2010 IF: 3.774
Call Number UA @ lucian @ c:irua:84259 Serial 3092
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Author Liu, Y.; Cheng, F.; Li, X.J.; Peeters, F.M.; Chang, K.
Title Tuning of the two electron states in quantum rings through the spin-orbit interaction Type A1 Journal article
Year 2010 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume (up) 82 Issue 4 Pages 1-7
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The effect of the Coulomb interaction on the energy spectrum and anisotropic distribution of two electron states in a quantum ring in the presence of Rashba spin-orbit interaction (RSOI) and Dresselhaus SOI (DSOI) is investigated in the presence of a perpendicular magnetic field. We find that the interplay between the RSOI and DSOI makes the single quantum ring behaves like a laterally coupled quantum dot and the interdot coupling can be tuned by changing the strengths of the SOIs. The interplay can lead to singlet-triplet state mixing and anticrossing behavior when the singlet and triplet states meet with increasing magnetic field. The two electron ground state displays a bar-bell-like spatial anisotropic distribution in a quantum ring at a specific crystallographic direction, i.e., [110] or [11̅ 0], which can be switched by reversing the direction of the perpendicular electric field. The ground state exhibits a singlet-triplet state transition with increasing magnetic field and strengths of RSOI and DSOI. An anisotropic electron distribution is predicted which can be detected through the measurement of its optical properties.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000280234100006 Publication Date 2010-07-22
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 14 Open Access
Notes ; This work was supported by NSFC under Grants No. 60525405 and No. 10874175 and the Belgium Science Policy (IAP). ; Approved Most recent IF: 3.836; 2010 IF: 3.774
Call Number UA @ lucian @ c:irua:84087 Serial 3756
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Author van den Heuvel, W.; Tikhomirov, V.K.; Kirilenko, D.; Schildermans, N.; Chibotaru, L.F.; Vanacken, J.; Gredin, P.; Mortier, M.; Van Tendeloo, G.; Moshchalkov, V.V.
Title Ultralow blocking temperature and breakdown of the giant spin model in Er3+-doped nanoparticles Type A1 Journal article
Year 2010 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume (up) 82 Issue 9 Pages 094421-094421,8
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The magnetization of luminescent Er3+-doped PbF2 nanoparticles (formula Er0.3Pb0.7F2.3) has been studied. Despite the high concentration of the doping Er3+ ions and relatively large size (8 nm) of these nanoparticles we have found no deviation between field-cooled and zero-field-cooled magnetization curves down to T=0.35 K, which points out an ultralow blocking temperature for the reversal of magnetization. We also have found strongly deviating magnetization curves M(H/T) for different temperatures T. These results altogether show that the investigated nanoparticles are not superparamagnetic, but rather each Er3+ ion in these nanoparticles is found in a paramagnetic state down to very low temperatures, which implies the breakdown of the Néel-Brown giant spin model in the case of these nanoparticles. Calculations of magnetization within a paramagnetic model of noninteracting Er3+ ions completely support this conclusion. Due to the ultralow blocking temperature, these nanoparticles have a potential for magnetic field-induced nanoscale refrigeration with an option of their optical localization and temperature control.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000281773300005 Publication Date 2010-09-13
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 Fwo Approved Most recent IF: 3.836; 2010 IF: 3.774
Call Number UA @ lucian @ c:irua:85423 Serial 3796
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Author Chaves, A.; Covaci, L.; Rakhimov, K.Y.; Farias, G.A.; Peeters, F.M.
Title Wave-packet dynamics and valley filter in strained graphene Type A1 Journal article
Year 2010 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume (up) 82 Issue 20 Pages 205430
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The time evolution of a wave packet in strained graphene is studied within the tight-binding model and continuum model. The effect of an external magnetic field, as well as a strain-induced pseudomagnetic field, on the wave-packet trajectories and zitterbewegung are analyzed. Combining the effects of strain with those of an external magnetic field produces an effective magnetic field which is large in one of the Dirac cones, but can be practically zero in the other. We construct an efficient valley filter, where for a propagating incoming wave packet consisting of momenta around the K and K' Dirac points, the outgoing wave packet exhibits momenta in only one of these Dirac points while the components of the packet that belong to the other Dirac point are reflected due to the Lorentz force. We also found that the zitterbewegung is permanent in time in the presence of either external or strain-induced magnetic fields, but when both the external and strain-induced magnetic fields are present, the zitterbewegung is transient in one of the Dirac cones, whereas in the other cone the wave packet exhibits permanent spatial oscillations.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000284401600007 Publication Date 2010-11-19
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 95 Open Access
Notes ; This work was financially supported by CNPq under NanoBioEstruturas Contract No. 555183/2005-0, PRONEX/CNPq/FUNCAP, CAPES, the Bilateral program between Flanders and Brazil, the Belgian Science Policy (IAP), and the Flemish Science Foundation (FWO-V1) ; Approved Most recent IF: 3.836; 2010 IF: 3.774
Call Number UA @ lucian @ c:irua:95542 Serial 3905
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Author Matulis, A.; Masir, M.R.; Peeters, F.M.
Title Application of optical beams to electrons in graphene Type A1 Journal article
Year 2011 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume (up) 83 Issue 11 Pages 115458-115458,7
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The technique of beam optics is applied to the description of the wave function of Dirac electrons. This approach is illustrated by considering electron transmission through simple nonhomogeneous structures, such as flat and bent p-n junctions and superlattices. We found that a convex p-n junction compresses the beam waist, while a concave interface widens it without loosing its focusing properties. At a flat p-n junction the waist of the transmitted Gaussian beam can be narrowed or widened, depending on the angle of incidence. A general condition is derived for the occurrence of beam collimation in a superlattice which is less stringent than previous discussed.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000288896400013 Publication Date 2011-03-29
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 13 Open Access
Notes ; This research was supported by the Flemish Science Foundation (Grant No. FWO-Vl), by the Belgian Science policy (IAP), and (in part) by the Lithuanian Science Council under project No. MIP-79/2010. ; Approved Most recent IF: 3.836; 2011 IF: 3.691
Call Number UA @ lucian @ c:irua:89377 Serial 142
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Author Chaves, A.; Komendová, L.; Milošević, M.V.; Andrade, J.S.; Farias, G.A.; Peeters, F.M.
Title Conditions for nonmonotonic vortex interaction in two-band superconductors Type A1 Journal article
Year 2011 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume (up) 83 Issue 21 Pages 214523-214523,6
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We describe a semianalytic approach to the two-band Ginzburg-Landau theory, which predicts the behavior of vortices in two-band superconductors. We show that the character of the short-range vortex-vortex interaction is determined by the sign of the normal domain-superconductor interface energy, in analogy with the conventional differentiation between type I and type II superconductors. However, we also show that the long-range interaction is determined by a modified Ginzburg-Landau parameter κ*, different from the standard κ of a bulk superconductor. This opens the possibility for nonmonotonic vortex-vortex interaction, which is temperature dependent, and can be further tuned by alterations of the material on the microscopic scale.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000292252300009 Publication Date 2011-06-30
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 46 Open Access
Notes ; Discussions with A. Moreira, A. Shanenko, R. Prozorov, and A. Golubov are gratefully acknowledged. This work was supported by the Flemish Science Foundation (FWO-Vl), the Belgian Science Policy (IAP), the bilateral project FWO-CNPq, CAPES, and PRONEX/CNPq/FUNCAP. ; Approved Most recent IF: 3.836; 2011 IF: 3.691
Call Number UA @ lucian @ c:irua:90922 Serial 477
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Author Peelaers, H.; Partoens, B.; Giantomassi, M.; Rangel, T.; Goossens, E.; Rignanese, G.-M.; Gonze, X.; Peeters, F.M.
Title Convergence of quasiparticle band structures of Si and Ge nanowires in the GW approximation and the validity of scissor shifts Type A1 Journal article
Year 2011 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume (up) 83 Issue 4 Pages 045306-045306,6
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Starting from fully converged density-functional theory calculations, the quasiparticle corrections are calculated for different sized Si and Ge nanowires using the GW approximation. The effectiveness of recently developed techniques in speeding up the convergence of the quasiparticle calculations is demonstrated. The complete quasiparticle band structures are also obtained using an interpolation technique based on maximallylocalized Wannier functions. From the quasiparticle results, we assess the correctness of the commonly applied scissor-shift correction. Dispersion changes are observed, which are also reflected in changes in the effective band masses calculated taking into account quasiparticle corrections.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000286771400004 Publication Date 2011-01-21
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 18 Open Access
Notes ; We are grateful to Yann Pouillon for valuable technical support with the build system of ABINIT, related to the WANNIER90 library. This work was supported by the Flemish Science Foundation (FWO-Vl) and by the Interuniversity Attraction Poles Program (P6/42)-Belgian State-Belgian Science Policy. X. G. and G.-M. R. acknowledge funding from the EU's 7th Framework Programme through the ETSF I3 e-Infrastructure project (Grant No. 211956), the Communaute francaise de Belgique through the Action de Recherche Concertee 07/12-003 “Nanosystemes hybrides metal-organiques,” and the Wallon Region Project No. 816849 “ European Theoretical Spectroscopy Facility” (WALL ETSF). M. G. acknowledges funding from the FRFC Project No. 2.4.589.09.F. ; Approved Most recent IF: 3.836; 2011 IF: 3.691
Call Number UA @ lucian @ c:irua:86905 Serial 510
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Author Sofo, J.O.; Suarez, A.M.; Usaj, G.; Cornaglia, P.S.; Hernández-Nieves, A.D.; Balseiro, C.A.
Title Electrical control of the chemical bonding of fluorine on graphene Type A1 Journal article
Year 2011 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume (up) 83 Issue 8 Pages 081411
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We study the electronic structure of diluted F atoms chemisorbed on graphene using density functional theory calculations. We show that the nature of the chemical bonding of a F atom adsorbed on top of a C atom in graphene strongly depends on carrier doping. In neutral samples the F impurities induce a sp(3)-like bonding of the C atom below, generating a local distortion of the hexagonal lattice. As the graphene is electron-doped, the C atom retracts back to the graphene plane and for high doping (10(14) cm(-2)) its electronic structure corresponds to a nearly pure sp(2) configuration. We interpret this sp(3)-sp(2) doping-induced crossover in terms of a simple tight-binding model and discuss the physical consequences of this change.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000287484800005 Publication Date 2011-02-18
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 65 Open Access
Notes ; J.O.S. and A. S. acknowledge support from the Donors of the American Chemical Society Petroleum Research Fund and use of facilities at the Penn State Materials Simulation Center. G. U., P. S. C., A. D. H., and C. A. B. acknowledge financial support from PICTs 06-483 and 2008-2236 from ANPCyT and PIP 11220080101821 from CONICET, Argentina. A. D. H. acknowledges support from the Flemish Science Foundation (FWO). ; Approved Most recent IF: 3.836; 2011 IF: 3.691
Call Number UA @ lucian @ c:irua:105600 Serial 892
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Author Engbarth, M.A.; Bending, S.J.; Milošević, M.V.
Title Geometry-driven vortex states in type-I superconducting Pb nanowires Type A1 Journal article
Year 2011 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume (up) 83 Issue 22 Pages 224504-224504,7
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Hall probe magnetometry has been used to investigate the magnetization of individual cylindrically shaped Pb nanowires grown by electrocrystallization on a highly oriented pyrolytic graphite electrode. These measurements have been interpreted by comparison with three-dimensional Ginzburg-Landau (GL) calculations for nanowires with our sample parameters. We find that the measured superheating field and the critical field for surface superconductivity are strongly influenced by the temperature-dependent coherence length, ξ(T) and penetration depth λ(T) and their relationship to the nanowire diameter. As the temperature is increased toward Tc this drives a change in the superconductor-normal transition from first order irreversible to first order reversible and finally second order reversible. We find that the geometrical flux confinement in our type-I nanowires leads to the formation of a one-dimensional row of single-quantum vortices. While GL calculations show a quite uniform distribution of vortices in thin nanowires, clear vortex bunching is found as the diameter increases, suggesting a transition to a more classical type-I behavior. Subtle changes in minor magnetization loops also indicate that slightly different flux configurations can form with the same vorticity, which depend on the sample history.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000291888300012 Publication Date 2011-06-21
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 19 Open Access
Notes ; We acknowledge valuable conversations with F. V. Kusmartsev and W. M. Wu at Loughborough University, UK. This work was supported by the EPSRC-UK under Grant No. EP/E039944/1, and the Flemish Science Foundation (FWO). ; Approved Most recent IF: 3.836; 2011 IF: 3.691
Call Number UA @ lucian @ c:irua:90927 Serial 1331
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Author Vodolazov, D.Y.; Peeters, F.M.
Title Heating of quasiparticles driven by oscillations of the order parameter in short superconducting microbridges Type A1 Journal article
Year 2011 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume (up) 83 Issue 22 Pages 224523-224523,6
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We predict heating of quasiparticles driven by order parameter oscillations in the resistive state of short superconducting microbridges. The finite relaxation time of the magnitude of the order parameter |Δ| and the dependence of the spectral functions both on |Δ| and the supervelocity Q are the origin of this effect. Our results are opposite to those of Aslamazov and Larkin [ Zh. Eks. Teor. Fiz. 70 1340 (1976)] and Schmid et al. [ Phys. Rev. B 21 5076 (1980)] where cooling of quasiparticles was found.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000292218200010 Publication Date 2011-06-29
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 Russian Foundation for Basic Research, Russian Agency of Education under the Federal Target Programme “Scientific and educational personnel of innovative Russia in 2009-2013,” Flemish Science Foundation (FWO-Vl), and the Belgian Science Policy (IAP). ; Approved Most recent IF: 3.836; 2011 IF: 3.691
Call Number UA @ lucian @ c:irua:90924 Serial 1415
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Author Földi, P.; Szaszkó-Bogár, V.; Peeters, F.M.
Title High-temperature conductance of a two-dimensional superlattice controlled by spin-orbit interaction Type A1 Journal article
Year 2011 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume (up) 83 Issue 11 Pages 115313-115313,6
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Rashba-type spin-orbit interaction (SOI) controlled band structure of a two-dimensional superlattice allows for the modulation of the conductance of finite size devices by changing the strength of the SOI. We consider rectangular arrays and find that the temperature dependence of the conductance disappears for high temperatures, but the strength of the SOI still affects the conductance at these temperatures. The modulation effect can be seen even in the presence of strong dephasing, which can be important for practical applications.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000288242800007 Publication Date 2011-03-11
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 8 Open Access
Notes ; We thank M. G. Benedict and F. Bartha for useful discussions. This work was supported by the Flemish Science Foundation (FWO-Vl), the Belgian Science Policy (IAP), the Hungarian Scientific Research Fund (OTKA) under Contracts No. T81364 and M045596 and by the “TAMOP-4.2.1/B-09/1/KONV-2010-0005 project: Creating the Center of Excellence at the University of Szeged” supported by the EU and the European Regional Development Fund. P.F. was supported by a J. Bolyai grant of the Hungarian Academy of Sciences. ; Approved Most recent IF: 3.836; 2011 IF: 3.691
Call Number UA @ lucian @ c:irua:88778 Serial 1466
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Author Li, Z.; Covaci, L.; Berciu, M.; Baillie, D.; Marsiglio, F.
Title Impact of spin-orbit coupling on the Holstein polaron Type A1 Journal article
Year 2011 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume (up) 83 Issue 19 Pages 195104-195104,9
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We utilize an exact variational numerical procedure to calculate the ground state properties of a polaron in the presence of a Rashba-like spin-orbit interaction. Our results corroborate previous work performed with the momentum average approximation and with weak-coupling perturbation theory. We find that spin-orbit coupling increases the effective mass in the regime with weak electron-phonon coupling, and decreases the effective mass in the regimes of intermediate and strong electron-phonon coupling. Analytical strong-coupling perturbation theory results confirm our numerical results in the small-polaron regime. A large amount of spin-orbit coupling can lead to a significant lowering of the polaron effective mass.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000290162500001 Publication Date 2011-05-03
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 9 Open Access
Notes ; This work was supported in part by the Natural Sciences and Engineering Research Council of Canada (NSERC), by ICORE (Alberta), by Alberta Ingenuity, by the Flemish Science Foundation (FWO-Vl), and by the Canadian Institute for Advanced Research (CIfAR). ; Approved Most recent IF: 3.836; 2011 IF: 3.691
Call Number UA @ lucian @ c:irua:89718 Serial 1561
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Author Nga, T.T.N.; Peeters, F.M.
Title Influence of electron-electron interaction on the cyclotron resonance spectrum of magnetic quantum dots containing few electrons Type A1 Journal article
Year 2011 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume (up) 83 Issue 7 Pages 075419-075419,6
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The configuration interaction method is used to obtain the magneto-optical absorption spectrum of a few-electron (Ne=1,2,,5) quantum dot containing a single magnetic ion. We find that the IR spectrum (the position, the number, and the oscillator strength of the cyclotron resonance peaks) depends on the strength of the Coulomb interaction, the number of electrons, and the position of the magnetic ion. We find that the Kohn theorem is no longer valid as a consequence of the electron-spin-magnetic-ion-spin-exchange interaction.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000287584600011 Publication Date 2011-02-23
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 8 Open Access
Notes ; This work was supported by FWO-Vl (Flemish Science Foundation), the Brazilian science foundation CNPq, and the Belgian Science Policy (IAP). ; Approved Most recent IF: 3.836; 2011 IF: 3.691
Call Number UA @ lucian @ c:irua:88912 Serial 1620
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Author Neek-Amal, M.; Peeters, F.M.
Title Lattice thermal properties of graphane : thermal contraction, roughness, and heat capacity Type A1 Journal article
Year 2011 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume (up) 83 Issue 23 Pages 235437-235437,6
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Using atomistic simulations, we determine the roughness and the thermal properties of a suspended graphane sheet. As compared to graphene, we found that (i) hydrogenated graphene has a larger thermal contraction, (ii) the roughness exponent at room temperature is smaller, i.e., ≃ 1.0 versus ≃ 1.2 for graphene, (iii) the wavelengths of the induced ripples in graphane cover a wide range corresponding to length scales in the range 30125 Å at room temperature, and (iv) the heat capacity of graphane is estimated to be 29.32±0.23 J/mol K, which is 14.8% larger than that for graphene, i.e., 24.98±0.14 J/mol K. Above 1500 K, we found that graphane buckles when its edges are supported in the x-y plane.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000292253400011 Publication Date 2011-06-30
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 42 Open Access
Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Belgium Science Policy (IAP). ; Approved Most recent IF: 3.836; 2011 IF: 3.691
Call Number UA @ lucian @ c:irua:90921 Serial 1803
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Author Yang, W.; Nelissen, K.; Kong, M.H.; Li, Y.T.; Tian, Y.M.
Title Melting properties of two-dimensional multi-species colloidal systems in a parabolic trap Type A1 Journal article
Year 2011 Publication European physical journal : B : condensed matter and complex systems Abbreviated Journal Eur Phys J B
Volume (up) 83 Issue 4 Pages 499-505
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The angular and radial melting properties of two-dimensional classical systems consisting of different types of particles confined in a parabolic trap are studied through modified Monte Carlo simulations. A universal behavior of the angular melting process is found, which occurs in multiple steps due to shell depended melting temperatures. The melting sequence of the different shells is determined by two major factors: (1) the confinement strength which each shell is subjected to, and (2) the specific structure of each shell. Further, a continuous radial disordering of the particle types forming a single circular shell is found and analyzed. This phenomenon has never been observed before in two-dimensional mono-dispersive systems. This continuous radial disordering results from the high energy barrier between different particle types in multi-species systems.
Address
Corporate Author Thesis
Publisher Place of Publication Berlin Editor
Language Wos 000296633700013 Publication Date 2011-10-15
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1434-6028;1434-6036; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.461 Times cited 2 Open Access
Notes ; This work was supported by the National Natural Science Foundation of China under Grant No. 11047111, the Major State Basic Research Development Program of China (973) under Grant No. 2009CB724201, the Key Science and Technology Program of Shanxi Province of China under Grant No. 20090321085, the Doctors' Initial Foundation of Taiyuan University of Science and Technology under Grant No. 20092010, the Youth Foundation of Taiyuan University of Science and Technology under Grant No. 20113020, the FWO-Vl (Belgium) and CNPq (Brazil). Part of the calculations were carried out using the CalcUA core facility of Universiteit Antwerpen (Belgium), a division of Flemish Supercomputer Center VSC, and in the Center for Computational Science of CASHIPS (China). ; Approved Most recent IF: 1.461; 2011 IF: 1.534
Call Number UA @ lucian @ c:irua:93589 Serial 1989
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Author Croitoru, M.D.; Shanenko, A.A.; Kaun, C.C.; Peeters, F.M.
Title Metallic nanograins : spatially nonuniform pairing induced by quantum confinement Type A1 Journal article
Year 2011 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume (up) 83 Issue 21 Pages 214509-214509,12
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract It is well known that the formation of discrete electron levels strongly influences the pairing in metallic nanograins. Here, we focus on another effect of quantum confinement in superconducting grains that was not studied previously, i.e., spatially nonuniform pairing. This effect is very significant when single-electron levels form bunches and/or a kind of shell structure. We find that, in highly symmetric grains, the order parameter can exhibit variations with position by an order of magnitude. Nonuniform pairing is closely related to a quantum-confinement-induced modification of the pairing-interaction matrix elements and size-dependent pinning of the chemical potential to groups of degenerate or nearly degenerate levels. For illustrative purposes, we consider spherical metallic nanograins and also rectangular shapes. We show that the relevant matrix elements are, as a rule, enhanced in the presence of quantum confinement, which favors spatial variations of the order parameter, compensating the corresponding energy cost. The size-dependent pinning of the chemical potential further increases the spatial variation of the pair condensate. The role of nonuniform pairing is smaller in less symmetric confining geometries and/or in the presence of disorder. However, it always remains of importance when the energy spacing between discrete electron levels δ is approaching the scale of the bulk gap ΔB, i.e., δ>0.10.2 ΔB.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000291310000006 Publication Date 2011-06-06
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 23 Open Access
Notes ; This work was supported by the Alexander von Humboldt Foundation, the Flemish Science Foundation (FWO-VI), and the Belgian Science Policy (IAP). M. D. C. acknowledges support of the European Community under a Marie Curie IEF Action (Grant Agreement No. PIEF-GA-2009-235486-ScQSR). ; Approved Most recent IF: 3.836; 2011 IF: 3.691
Call Number UA @ lucian @ c:irua:90081 Serial 2010
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Author Boullay, P.; David, A.; Sheets, W.C.; Lüders, U.; Prellier, W.; Tan, H.; Verbeeck, J.; Van Tendeloo, G.; Gatel, C.; Vincze, G.; Radi, Z.
Title Microstructure and interface studies of LaVO3/SrVO3 superlattices Type A1 Journal article
Year 2011 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume (up) 83 Issue 12 Pages 125403-125403,6
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The structure and interface characteristics of (LaVO3)6m(SrVO3)m superlattices deposited on a (100)-SrTiO3 substrate were studied using transmission electron microscopy (TEM). Cross-section TEM studies revealed that both LaVO3 (LVO) and SrVO3 (SVO) layers are good single-crystal quality and epitaxially grown with respect to the substrate. It is evidenced that LVO layers are made of two orientational variants of a distorted perovskite compatible with bulk LaVO3, while SVO layers suffers from a tetragonal distortion due to the substrate-induced stain. Electron energy loss spectroscopy investigations indicate changes in the fine structure of the V L23 edge, related to a valence change between the LaVO3 and the SrVO3 layers.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000288160300006 Publication Date 2011-03-09
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 26 Open Access
Notes Fwo; Esteem 026019 Approved Most recent IF: 3.836; 2011 IF: 3.691
Call Number UA @ lucian @ c:irua:88648UA @ admin @ c:irua:88648 Serial 2054
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Author Lobato, I.; Partoens, B.
Title Multiple Dirac particles in AA-stacked graphite and multilayers of graphene Type A1 Journal article
Year 2011 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume (up) 83 Issue 16 Pages 165429-165429,9
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
Abstract Using the tight-binding formalism we show that in the recently experimentally realized AA-stacked graphite in essence two types of massless relativistic Dirac particles are present with a different effective speed of light. We also investigate how the electronic structure evolves from a single graphene sheet into AA-stacked graphite. It is shown that in contrast to AB-stacked graphene layers, the spectrum of AA-stacked graphene layers can be considered as a superposition of single-layer spectra and only particles with a linear spectrum at the Fermi energy around the K point are present. From the evolution of the band overlap we show that 6 multilayers of AA-stacked graphene already behave as AA-stacked graphite. The evolution of the effective speeds of light of the Dirac particles to their bulk values shows exactly the same behavior. The tight-binding parameters we use to describe AA-stacked graphite and multilayers of graphene are obtained by ab initio calculations.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000290113900005 Publication Date 2011-04-21
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 68 Open Access
Notes ; ; Approved Most recent IF: 3.836; 2011 IF: 3.691
Call Number UA @ lucian @ c:irua:89717 Serial 2225
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Author Verberck, B.
Title Orientational properties of C70 and C80 fullerenes in carbon nanotubes Type A1 Journal article
Year 2011 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume (up) 83 Issue 4 Pages 045405-045405,8
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We present energy calculations of a C80 molecule with D5d symmetry encapsulated in a carbon nanotube. The approximation of a continuous tube rather than a rolled-up graphene sheet, justified by comparison with atomistic calculations, allows an expansion of the energy field into symmetry-adapted rotator functions. For a given tube radius R, we observe a strong dependence of the interaction energy on the molecular tilt angle and on the molecules lateral position in the tube. We observe a transition from on-axis lying orientations to tilted orientations at R1≈6.95 Å and a subsequent transition to standing orientations at R2≈7.6 Å. For tube radii larger than R3≈8.0 Å, the molecule starts to occupy off-axis positions and assumes a lying orientation. Results are compared to the case of C70 molecules, with D5h symmetry. Our findings are consistent with recent high-resolution transmission electron microscopy measurements and are relevant for the design of new materials with tunable electronic properties.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000286770600010 Publication Date 2011-01-20
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 6 Open Access
Notes ; The author gratefully acknowledges discussions with A. V. Nikolaev and K. H. Michel. This work was financially supported by the Research Foundation-Flanders (FWO-Vl). ; Approved Most recent IF: 3.836; 2011 IF: 3.691
Call Number UA @ lucian @ c:irua:88911 Serial 2520
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Author Michel, K.H.; Verberck, B.
Title Phonon dispersions and piezoelectricity in bulk and multilayers of hexagonal boron nitride Type A1 Journal article
Year 2011 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume (up) 83 Issue 11 Pages 115328-115328,14
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract A unified theory of phonon dispersions and piezoelectricity in bulk and multilayers of hexagonal boron nitride (h-BN) is derived. The dynamical matrix is calculated on the basis of an empirical force constant model of intralayer valence and interlayer van der Waals interactions. Coulomb interactions are calculated by Ewalds method, adapted for the three-dimensional (3D) and the multilayer case. The deformation of the ionic charge distribution with long-wave lattice displacements is taken into account. Special attention is devoted to the nonanalytic long-range Coulomb contribution to the dynamical matrix which is different for the 3D crystal and the multilayer case. Consequently there is a splitting of the transverse optical (TO) and longitudinal optical (LO) phonon branches of E1u symmetry and a discontinuity of the A2u branch at the Γ point in 3D h-BN. No such splitting and discontinuity at Γ are present in multilayer crystals with a finite number N of layers. There a diverging bundle of N overbending optical phonon branches emerges from Γ. Borns long-wave theory is applied and extended for the study of piezoelectricity in layered crystals. While 3D h-BN and h-BN multilayers with an even number of layers (symmetry D6h) are not piezoelectric, multilayers with an uneven number of Nu layers (symmetry D3h) are piezoelectric; the piezoelectric coefficient e1,11 is inversely proportional to Nu.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000288783700005 Publication Date 2011-03-24
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 82 Open Access
Notes ; Discussions with G. Heger, B. Partoens, and F. M. Peeters are gratefully acknowledged. This work has been supported by the Flemish Science Foundation (FWO-V1) and the Bijzonder Onderzoeksfonds, Universiteit Antwerpen (BOF-UA). ; Approved Most recent IF: 3.836; 2011 IF: 3.691
Call Number UA @ lucian @ c:irua:89602 Serial 2603
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Author Krüger, P.; da Pieve, F.; Osterwalder, J.
Title Real-space multiple scattering method for angle-resolved photoemission and valence-band photoelectron diffraction and its application to Cu(111) Type A1 Journal article
Year 2011 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume (up) 83 Issue 11 Pages 115437,1-115437,8
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract A computational method is presented for angle-resolved photoemission spectra (ARPES) and photoelectron diffraction (PED) in the ultraviolet regime. The one-step model is employed and both initial valence and final continuum states are calculated using the finite-cluster, real-space multiple scattering method. Thereby the approach is versatile and provides a natural link to core-level PED. The method is applied to the Cu(111) valence band and good agreement with experiment is found for both ARPES spectra and PED patterns. When the PED patterns are integrated over a filled band of a single-orbital symmetry, such as Cu-3d, we show, both numerically and analytically, that the exact theory with delocalized initial states can be replaced by the much simpler, core-level-type theory where the initial states are taken as localized.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000288594500005 Publication Date 2011-03-22
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 17 Open Access
Notes Approved Most recent IF: 3.836; 2011 IF: 3.691
Call Number UA @ lucian @ c:irua:89599 Serial 2831
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Author Abakumov, A.M.; Tsirlin, A.A.; Perez-Mato, J.M.; Petřiček, V.; Rosner, H.; Yang, T.; Greenblatt, M.
Title Spiral ground state against ferroelectricity in the frustrated magnet BiMnFe2O6 Type A1 Journal article
Year 2011 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume (up) 83 Issue 21 Pages 214402-214402,10
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The spiral magnetic structure and underlying spin lattice of BiMnFe2O6 are investigated by low-temperature neutron powder diffraction and density functional theory band structure calculations. In spite of the random distribution of the Mn3+ and Fe3+ cations, this centrosymmetric compound undergoes a transition into an incommensurate antiferromagnetically ordered state below TN≃220 K. The magnetic structure is characterized by the propagation vector k=[0,β,0] with β≃0.14 and the P221211′(0β0)0s0s magnetic superspace symmetry. It comprises antiferromagnetic helixes propagating along the b axis. The magnetic moments lie in the ac plane and rotate about π(1+β)≃204.8-deg angle between the adjacent magnetic atoms along b. The spiral magnetic structure arises from the peculiar frustrated arrangement of exchange couplings in the ab plane. The antiferromagnetic coupling along the c axis cancels the possible electric polarization and prevents ferroelectricity in BiMnFe2O6.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000291197400001 Publication Date 2011-06-03
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 12 Open Access
Notes Approved Most recent IF: 3.836; 2011 IF: 3.691
Call Number UA @ lucian @ c:irua:90080 Serial 3107
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Author Li, B.; Peeters, F.M.
Title Tunable optical Aharonov-Bohm effect in a semiconductor quantum ring Type A1 Journal article
Year 2011 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume (up) 83 Issue 11 Pages 115448-115448,13
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract By applying an electric field perpendicular to a semiconductor quantum ring we show that it is possible to modify the single particle wave function between quantum dot (QD)-like and ring-like. The constraints on the geometrical parameters of the quantum ring to realize such a transition are derived. With such a perpendicular electric field we are able to tune the Aharanov-Bohm (AB) effect for both the single particle and for excitons. The tunability is in both the strength of the AB effect as well as in its periodicity. We also investigate the strain induce potential inside the self-assembled quantum ring and the effect of the strain on the AB effect.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000288855200012 Publication Date 2011-03-28
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 25 Open Access
Notes ; This work was supported by the EU-NoE: SANDiE, the Flemish Science Foundation (FWO-Vl), the Interuniversity Attraction Poles, Belgium State, Belgium Science Policy, and IMEC, vzw collaborative project. We are grateful to Prof. M. Tadic and Dr. Fei Ding for stimulating discussions. ; Approved Most recent IF: 3.836; 2011 IF: 3.691
Call Number UA @ lucian @ c:irua:89376 Serial 3744
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Author Nowak, M.P.; Szafran, B.; Peeters, F.M.; Partoens, B.; Pasek, W.J.
Title Tuning of the spin-orbit interaction in a quantum dot by an in-plane magnetic field Type A1 Journal article
Year 2011 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume (up) 83 Issue 24 Pages 245324-245324,12
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Using an exact-diagonalization approach we show that one- and two-electron InAs quantum dots exhibit an avoided crossing in the energy spectra that is induced by the spin-orbit coupling in the presence of an in-plane external magnetic field. The width of the avoided crossings depends strongly on the orientation of the magnetic field, which reveals the intrinsic anisotropy of the spin-orbit-coupling interactions. We find that for specific orientations of the magnetic field avoided crossings vanish. A value of this orientation can be used to extract the ratio of the strength of Rashba and Dresselhaus interactions. The spin-orbit anisotropy effects for various geometries and orientations of the confinement potential are discussed. Our analysis explains the physics behind the recent measurements performed on a gated self-assembled quantum dot [ S. Takahashi et al. Phys. Rev. Lett. 104 246801 (2010)].
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000292254000005 Publication Date 2011-06-30
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 27 Open Access
Notes ; The authors thank S. Takahashi for helpful discussions. This work was supported by the “Krakow Interdisciplinary PhD Project in Nanoscience and Advanced Nanostructures” operated within the Foundation for Polish Science MPD Programme co-financed by the EU European Regional Development Fund, the Project No. N N202103938 supported by the Ministry of Science an Higher Education (MNiSW) for 2010-2013, and the Belgian Science Policy (IAP). W. J. P. has been partially supported by the EU Human Capital Operation Program, Polish Project No. POKL.04.0101-00-434/08-00. Calculations were performed in ACK-CYFRONET-AGH on the RackServer Zeus. ; Approved Most recent IF: 3.836; 2011 IF: 3.691
Call Number UA @ lucian @ c:irua:90923 Serial 3755
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