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Author Croitoru, M.D.; Shanenko, A.A.; Peeters, F.M.; Axt, V.M.
  Title Parity-fluctuation induced enlargement of the ratio \DeltaE/kBTc in metallic grains Type A1 Journal article
  Year (down) 2011 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
  Volume 84 Issue 21 Pages 214518-214518,12
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract We investigate how the interplay of quantum confinement and particle number-parity fluctuations affects superconducting correlations in ultra-small metallic grains. Using the number-parity projected BCS formalism we calculate the critical temperature and the excitation gap as a function of the grain size for grains with even and odd number of confined carriers. We show that the experimentally observed anomalous increase of the coupling ratio ΔE/kBTc with decreasing superconducting grain size can be attributed to an enhancement of the number-parity fluctuations in ultra-small grains.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000298114100003 Publication Date 2011-12-16
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.836 Times cited 14 Open Access
  Notes ; This work was supported by the European Community under a Marie Curie IEF Action (Grant Agreement No. PIEF-GA-2009-235486-ScQSR), the Flamish Science Foundation (FWO-Vl), and the Belgian Science Policy (IAP). M. D. C. thanks A. S. Mel'nikov and N. B. Kopnin for fruitful discussions. ; Approved Most recent IF: 3.836; 2011 IF: 3.691
  Call Number UA @ lucian @ c:irua:94373 Serial 2555
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Author Tsirlin, A.A.; Nath, R.; Abakumov, A.M.; Furukawa, Y.; Johnston, D.C.; Hemmida, M.; Krug von Nidda, H.-A.; Loidl, A.; Geibel, C.; Rosner, H.
  Title Phase separation and frustrated square lattice magnetism of Na1.5VOPO4F0.5 Type A1 Journal article
  Year (down) 2011 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
  Volume 84 Issue 1 Pages 014429-014429,16
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract Crystal structure, electronic structure, and magnetic behavior of the spin-1/2 quantum magnet Na1.5VOPO4F0.5 are reported. The disorder of Na atoms leads to a sequence of structural phase transitions revealed by synchrotron x-ray powder diffraction and electron diffraction. The high-temperature second-order α↔β transition at 500 K is of the order-disorder type, whereas the low-temperature β↔γ+γ′ transition around 250 K is of the first order and leads to a phase separation toward the polymorphs with long-range (γ) and short-range (γ′) order of Na. Despite the complex structural changes, the magnetic behavior of Na1.5VOPO4F0.5 probed by magnetic susceptibility, heat capacity, and electron spin resonance measurements is well described by the regular frustrated square lattice model of the high-temperature α-polymorph. The averaged nearest-neighbor and next-nearest-neighbor couplings are J̅ 1≃−3.7 K and J̅ 2≃6.6 K, respectively. Nuclear magnetic resonance further reveals the long-range ordering at TN=2.6 K in low magnetic fields. Although the experimental data are consistent with the simplified square-lattice description, band structure calculations suggest that the ordering of Na atoms introduces a large number of inequivalent exchange couplings that split the square lattice into plaquettes. Additionally, the direct connection between the vanadium polyhedra induces an unusually strong interlayer coupling having effect on the transition entropy and the transition anomaly in the specific heat. Peculiar features of the low-temperature crystal structure and the relation to isostructural materials suggest Na1.5VOPO4F0.5 as a parent compound for the experimental study of tetramerized square lattices as well as frustrated square lattices with different values of spin.
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  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000293247400008 Publication Date 2011-07-28
  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 47 Open Access
  Notes Approved Most recent IF: 3.836; 2011 IF: 3.691
  Call Number UA @ lucian @ c:irua:91770 Serial 2588
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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 (down) 2011 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
  Volume 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.
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  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 (down) 2011 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
  Volume 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.
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  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 Lin, N.S.; Heitmann, T.W.; Yu, K.; Plourde, B.L.T.; Misko, V.R.
  Title Rectification of vortex motion in a circular ratchet channel Type A1 Journal article
  Year (down) 2011 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
  Volume 84 Issue 14 Pages 144511-144511,12
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract We study the dynamics of vortices in an asymmetric (i.e., consisting of triangular cells) ring channel driven by an external ac current I in a Corbino setup. The asymmetric potential rectifies the motion of vortices and induces a net vortex flow without any unbiased external drive, i.e., the ratchet effect. We show that the net flow of vortices strongly depends on vortex density and frequency of the driving current. Depending on the density, we distinguish a single-vortex rectification regime (for low density, when each vortex is rectified individually) determined by the potential-energy landscape inside each cell of the channel (i.e., hard and easy directions) and multi-vortex, or collective, rectification (high-density case) when the inter-vortex interaction becomes important. We analyze the average angular velocity ω of vortices as a function of I and study commensurability effects between the numbers of vortices and cells in the channel and the role of frequency of the applied ac current. We have shown that the commensurability effect results in a stepwise ω-I curve. Besides the integer steps, i.e., the large steps found in the single-vortex case, we also found fractional steps corresponding to fractional ratios between the numbers of vortices and triangular cells. We have performed preliminary measurements on a device containing a single weak-pinning circular ratchet channel in a Corbino geometry and observed a substantial asymmetric vortex response.
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  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000295795500010 Publication Date 2011-10-07
  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 ; We thank Peter Kes and Marcel Hesselberth for providing the superconducting films from which the Corbino ratchet sample was fabricated. This work was supported by the “Odysseus” Program of the Flemish Government and the Flemish Science Foundation (FWO-Vl), the Interuniversity Attraction Poles (IAP) Programme-Belgian State-Belgian Science Policy, and the FWO-Vl (Belgium). T. W. H., K.Y., and B. L. T. P acknowledge support from the National Science Foundation under Grant DMR-0547147 as well as the use of the Cornell NanoScale Facility, a member of the National Nanotechnology Infrastructure Network, which is supported by the National Science Foundation (Grant ECS-0335765). ; Approved Most recent IF: 3.836; 2011 IF: 3.691
  Call Number UA @ lucian @ c:irua:92809 Serial 2848
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Author Fang, C.M.; van Huis, M.A.; Jansen, J.; Zandbergen, H.W.
  Title Role of carbon and nitrogen in Fe2C and Fe2N from first-principles calculations Type A1 Journal article
  Year (down) 2011 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
  Volume 84 Issue 9 Pages 094102-094102,10
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract Although Fe2C and Fe2N are technologically important materials, the exact nature of the chemical bonding of C and N atoms and the related impact on the electronic properties are at present unclear. Here, results of first-principles electronic structure calculations for Fe2X (X = C, N) phases are presented. The electronic structure calculations show that the roles of N and C in iron nitrides and carbides are comparable, and that the X-X interactions have significant impact on electronic properties. Accurate analysis of the spatially resolved differences in electron densities reveals a subtle distinction between the chemical bonding and charge transfer of N and C ions.
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  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000294772800003 Publication Date 2011-09-09
  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 24 Open Access
  Notes Approved Most recent IF: 3.836; 2011 IF: 3.691
  Call Number UA @ lucian @ c:irua:92327 Serial 2912
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Author Masir, M.R.; Matulis, A.; Peeters, F.M.
  Title Scattering of Dirac electrons by circular mass barriers : valley filter and resonant scattering Type A1 Journal article
  Year (down) 2011 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
  Volume 84 Issue 24 Pages 245413-245413,9
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract The scattering of two-dimensional (2D) massless Dirac electrons is investigated in the presence of a random array of circular mass barriers. The inverse momentum relaxation time and the Hall factor are calculated and used to obtain parallel and perpendicular resistivity components within linear transport theory. We found a nonzero perpendicular resistivity component which has opposite sign for electrons in the different K and K′ valleys. This property can be used for valley filter purposes. The total cross section for scattering on penetrable barriers exhibits resonances due to the presence of quasibound states in the barriers that show up as sharp gaps in the cross section while for Schrödinger electrons they appear as peaks.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000297934500008 Publication Date 2011-12-12
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.836 Times cited 32 Open Access
  Notes ; This work was supported by the European Science Foundation (ESF) under the EUROCORES Program Euro-GRAPHENE within the project CONGRAN. ; Approved Most recent IF: 3.836; 2011 IF: 3.691
  Call Number UA @ lucian @ c:irua:94383 Serial 2951
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Author Dachraoui, W.; Yang, T.; Liu, C.; Ling, G.; Hadermann, J.; Van Tendeloo, G.; Llobet, A.; Greenblatt, M.
  Title Short-range layered A-site ordering in double perovskites NaLaBB'O6 (B = Mn, Fe; B' = Nb, Ta) Type A1 Journal article
  Year (down) 2011 Publication Chemistry of materials Abbreviated Journal Chem Mater
  Volume 23 Issue 9 Pages 2398-2406
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract The new compounds NaLaFeTaO6, NaLaFeNbO6, NaLaMnTaO6, and NaLaMnNbO6 have been synthesized and characterized with a combination of transmission electron microscopy, X-ray powder diffraction (XRPD), neutron powder diffraction (NPD), and magnetization measurements. Through electron microscopy study, a local layered order of the A-cations has been detected without the typical occurrence of rock salt order at the B-cation site. Satellite reflections in the electron diffraction related to the local layered order are not visible on the XRPD or NPD patterns. The occurrence of local layered order is supported by pair distribution function analysis, which also reveals the presence of uncorrelated displacements of the Nb and Ta cations. The octahedra are tilted according to the system a−b+a−, and the coordinates were refined from XRPD and NPD with a disordered cation distribution in the space group Pnma. The magnetic exchange interactions in NaLaFeTaO6 and NaLaFeNbO6 are antiferromagnetic, while they are ferromagnetic in NaLaMnTaO6 and NaLaMnNbO6. Long-range magnetic ordering is not observed down to 4 K for any of the compositions.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Washington, D.C. Editor
  Language Wos 000290063600016 Publication Date 2011-04-14
  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 14 Open Access
  Notes Esteem 026019 Approved Most recent IF: 9.466; 2011 IF: 7.286
  Call Number UA @ lucian @ c:irua:89944 Serial 2996
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Author Nourbakhsh, A.; Cantoro, M.; Klekachev, A.V.; Pourtois, G.; Vosch, T.; Hofkens, J.; van der Veen, M.H.; Heyns, M.M.; de Gendt, S.; Sels, B.F.
  Title Single layer vs bilayer graphene : a comparative study of the effects of oxygen plasma treatment on their electronic and optical properties Type A1 Journal article
  Year (down) 2011 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C
  Volume 115 Issue 33 Pages 16619-16624
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract This contribution presents the effects of a mild O2 plasma treatment on the structural, optical, and electrical properties of single-layer (SLG) and bilayer graphene (BLG). Unexpectedly, we observe only photoluminescence in the SLG parts of a graphene flake composed of regions of various thickness upon O2 plasma treatment, whereas the BLG and few-layer graphene (FLG) parts remain optically unchanged. Confirmed with X-ray photoelectron spectroscopy (XPS) that O2 plasma induces epoxide and hydroxyl-like groups in graphene, density functional theory (DFT) calculations are carried out on representative epoxidized and hydroxylated SLG and BLG models to predict density of states (DOS) and band structures. Sufficiently oxidized SLG shows a bandgap and thus loss of semimetallic behavior, while oxidized BLG maintains its semimetallic behavior even at high oxygen density in agreement with the results of the photoluminescence spectroscopy (PL) experiments. DFT calculations confirm that the Fermi velocity in epoxidized BLG is remarkably comparable with that of pristine SLG, pointing to a similarity of electronic band structure. The similarity is also experimentally demonstrated by the electrical characterization of a plasma-treated BLG-FET. As expected from the electronegative oxygen adatoms in the graphene, epoxidized BLG presents conductive features typical of hole doping. Moreover, the electrical characteristics suggest band structures closely related to that of epoxidized graphene while deviating from that of hydroxylated graphene. Finally, upon O2 plasma treatment of BLG, the four-component 2D peak around 2700 cm1 in the Raman spectrum evolves into a single Lorentzian line, very like the 2D peak of pristine SLG. Summarizing, the data in this contribution recommend that a controlled O2 plasma treatment, which is compatible with CMOS process flow in contrast to wet chemical oxidation methods, provides an efficient and valuable technique to exploit the transport properties of the bottom layer of BLG.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Washington, D.C. Editor
  Language Wos 000294077000047 Publication Date 2011-06-24
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1932-7447;1932-7455; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 4.536 Times cited 46 Open Access
  Notes Approved Most recent IF: 4.536; 2011 IF: 4.805
  Call Number UA @ lucian @ c:irua:91715 Serial 3024
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Author Hadermann, J.; Abakumov, A.M.; Turner, S.; Hafideddine, Z.; Khasanova, N.R.; Antipov, E.V.; Van Tendeloo, G.
  Title Solving the structure of Li ion battery materials with precession electron diffraction : application to Li2CoPo4F Type A1 Journal article
  Year (down) 2011 Publication Chemistry of materials Abbreviated Journal Chem Mater
  Volume 23 Issue 15 Pages 3540-3545
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract The crystal structure of the Li2CoPO4F high-voltage cathode for Li ion rechargeable batteries has been completely solved from precession electron diffraction (PED) data, including the location of the Li atoms. The crystal structure consists of infinite chains of CoO4F2 octahedra sharing common edges and linked into a 3D framework by PO4 tetrahedra. The chains and phosphate anions together delimit tunnels filled with the Li atoms. This investigation demonstrates that PED can be successfully applied for obtaining structural information on a variety of Li-containing electrode materials even from single micrometer-sized crystallites.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Washington, D.C. Editor
  Language Wos 000293357100019 Publication Date 2011-07-11
  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 46 Open Access
  Notes Fwo; Bof Approved Most recent IF: 9.466; 2011 IF: 7.286
  Call Number UA @ lucian @ c:irua:90357 Serial 3053
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Author Glazov, M.M.; Semina, M.A.; Badalyan, S.M.; Vignale, G.
  Title Spin-current generation from Coulomb-Rashba interaction in semiconductor bilayers Type A1 Journal article
  Year (down) 2011 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
  Volume 84 Issue 3 Pages 033305-033305,4
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract Electrons in double-layer semiconductor heterostructures experience a special type of spin-orbit interaction that arises in each layer from the perpendicular component of the Coulomb electric field created by electron-density fluctuations in the other layer. We show that this interaction, acting in combination with the usual spin-orbit interaction, can generate a spin current in one layer when a charge current is driven in the other. This effect is distinct symmetrywise from the spin-Hall drag. The spin current is not, in general, perpendicular to the drive current.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000293129200001 Publication Date 2011-07-26
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.836 Times cited 5 Open Access
  Notes ; M.M.G. and M. A. S. are grateful to RFBR, EU projects Spinoptronics and POLAPHEN, and the “Dynasty” Foundation-ICFPM for financial support. S. M. B. acknowledges support from EU Grant No. PIIF-GA-2009-235394, the DFG SFB 689, and the Belgium Science Policy (IAP). G. V. acknowledges support from NSF Grant No. DMR-0705460. ; Approved Most recent IF: 3.836; 2011 IF: 3.691
  Call Number UA @ lucian @ c:irua:91740 Serial 3081
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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 (down) 2011 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
  Volume 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 Canioni, R.; Roch-Marchal, C.; Sécheresse, F.; Horcajada, P.; Serre, C.; Hardi-Dan, M.; Férey, G.; Grenèche, J.-M.; Lefebvre, F.; Chang, J.-S.; Hwang, Y.-K.; Lebedev, O.; Turner, S.; Van Tendeloo, G.
  Title Stable polyoxometalate insertion within the mesoporous metal organic framework MIL-100(Fe) Type A1 Journal article
  Year (down) 2011 Publication Journal of materials chemistry Abbreviated Journal J Mater Chem
  Volume 21 Issue 4 Pages 1226-1233
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract Successful encapsulation of polyoxometalate (POM) within the framework of a mesoporous iron trimesate MIL-100(Fe) sample has been achieved by direct hydrothermal synthesis in the absence of fluorine. XRPD, 31P MAS NMR, IR, EELS, TEM and 57Fe Mössbauer spectrometry corroborate the insertion of POM within the cavities of the MOF. The experimental Mo/Fe ratio is 0.95, in agreement with the maximum theoretical amount of POM loaded within the pores of MIL-100(Fe), based on steric hindrance considerations. The POM-MIL-100(Fe) sample exhibits a pore volume of 0.373 cm3 g−1 and a BET surface area close to 1000 m2 g−1, indicating that small gas molecules can easily diffuse inside the cavities despite the presence of heavy phosphomolybdates. These latter contribute to the decrease in the overall surface area, due to the increase in molar weight, by 65%. Moreover, the resulting Keggin containing MIL-100(Fe) solid is stable in aqueous solution with no POM leaching even after more than 2 months. In addition, no exchange of the Keggin anions by tetrabutylammonium perchlorate in organic media has been observed.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Cambridge Editor
  Language Wos 000286110400042 Publication Date 2010-11-25
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0959-9428;1364-5501; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor Times cited 158 Open Access
  Notes Approved Most recent IF: NA
  Call Number UA @ lucian @ c:irua:88642 Serial 3145
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Author Rusakov, D.; Abakumov, A.M.; Yamaura, K.; Belik, A.A.; Van Tendeloo, G.; Takayama-Muromachi, E.
  Title Structural evolution of the BiFeO3-LaFeO3 system Type A1 Journal article
  Year (down) 2011 Publication Chemistry of materials Abbreviated Journal Chem Mater
  Volume 23 Issue 2 Pages 285-292
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract The (1 − x)BiFeO3−xLaFeO3 system has been investigated and characterized by room-temperature and high-temperature laboratory and synchrotron powder X-ray diffraction, electron diffraction, high-resolution transmission electron microscopy, differential scanning calorimetry, and magnetization measurements. At room temperature, the ferroelectric R3c phase is observed for 0.0 ≤ x ≤ 0.10. The PbZrO3-related √2ap × 2√2ap × 4ap superstructure (where ap is the parameter of the cubic perovskite subcell) is observed for Bi0.82La0.18FeO3, while an incommensurately modulated phase is formed for 0.19 ≤ x ≤ 0.30 with the √2ap × 2ap × √2ap basic unit cell. The GdFeO3-type phase with space group Pnma (√2ap × 2ap × √2ap) is stable at 0.50 ≤ x ≤ 1. Bi0.82La0.18FeO3 has no detectable homogeneity range (space group Pnam, a = 5.6004(1) Å, b = 11.2493(3) Å, c = 15.6179(3) Å). The incommensurately modulated Bi0.75La0.25FeO3 structure was solved from synchrotron X-ray powder diffraction data (Imma(00γ)s00 superspace group, a = 5.5956(1) Å, b = 7.8171(1) Å, c = 5.62055(8) Å, q = 0.4855(4)c*, RP = 0.023, RwP = 0.033). In this structure, cooperative displacements of the Bi and O atoms occur, which order within the (AO) (where A = Bi, La) layers, resulting in an antipolar structure. Local fluctuations of the intralayer antipolar ordering are compensated by an interaction with the neighboring (AO) layers. A coupling of the antipolar displacements with the cooperative tilting distortion of the perovskite octahedral framework is proposed as the origin of the incommensurability. All the phases transform to the GdFeO3-type structure at high temperatures. Bi0.82La0.18FeO3 shows an intermediate PbZrO3-type phase with √2ap × 2√2ap × 2ap (space group Pbam; a = 5.6154(2) Å, b = 11.2710(4) Å, and c = 7.8248(2) Å at 570 K). The compounds in the compositional range of 0.18 ≤ x ≤ 0.95 are canted antiferromagnets.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Washington, D.C. Editor
  Language Wos 000286160800021 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 133 Open Access
  Notes Approved Most recent IF: 9.466; 2011 IF: 7.286
  Call Number UA @ lucian @ c:irua:88650 Serial 3236
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Author Vansweevelt, R.; Mortet, V.; D' Haen, J.; Ruttens, bart; van Haesendonck, C.; Partoens, B.; Peeters, F.M.; Wagner, P.
  Title Study on the giant positive magnetoresistance and Hall effect in ultrathin graphite flakes Type A1 Journal article
  Year (down) 2011 Publication Physica status solidi : A : applications and materials science Abbreviated Journal Phys Status Solidi A
  Volume 208 Issue 6 Pages 1252-1258
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract In this paper, we report on the electronic transport properties of mesoscopic, ultrathin graphite flakes with a thickness corresponding to a stack of 150 graphene layers. The graphite flakes show an unexpectedly strong positive magnetoresistance (PMR) already at room temperature, which scales in good approximation with the square of the magnetic field. Furthermore, we show that the resistivity is unaffected by magnetic fields oriented in plane with the graphene layers. Hall effect measurements indicate that the charge carriers are p-type and their concentration increases with increasing temperature while the mobility is decreasing. The Hall voltage is non-linear in higher magnetic fields. Possible origins of the observed effects are discussed. Ball and stick model of the two topmost carbon layers of the hexagonal graphite structure.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000292945800008 Publication Date 2011-02-24
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1862-6300; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 1.775 Times cited 8 Open Access
  Notes ; The authors gratefully acknowledge the support by FWO – Research Foundation Flanders (project G.0159.07 “Structural and electronic properties of biologically modified, graphene-based layers”), by the Federal Belgian Interuniversity Attraction Poles Programme BELSPO (project TAP VI P6/42 “Quantum effects in clusters and nanowires”) and by the Methusalem network “NANO – Antwerp-Hasselt,” funded by the Flemish Community. Technical assistance by Stoffel D. Janssens (magnet calibration and software development), Dr. Hong Yin (AFM-based thickness studies), Dr. Ronald Thoelen (data analysis), and Prof. Hans-Gerd Boyen (XPS spectroscopy) is greatly appreciated. ; Approved Most recent IF: 1.775; 2011 IF: 1.463
  Call Number UA @ lucian @ c:irua:91941 Serial 3343
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Author Covaci, L.; Peeters, F.M.
  Title Superconducting proximity effect in graphene under inhomogeneous strain Type A1 Journal article
  Year (down) 2011 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
  Volume 84 Issue 24 Pages 241401-241401,4
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract The interplay between quantum Hall states and Cooper pairs is usually hindered by the suppression of the superconducting state due to the strong magnetic fields needed to observe the quantum Hall effect. From this point of view, graphene is special since it allows the creation of strong pseudomagnetic fields due to strain. We show that in a Josephson junction made of strained graphene, Cooper pairs will diffuse into the strained region. The pair correlation function will be sublattice polarized due to the polarization of the local density of states in the zero pseudo-Landau level. We uncover two regimes: (1) one in which the cyclotron radius is larger than the junction length, in which case the supercurrent will be enhanced, and (2) the long junction regime where the supercurrent is strongly suppressed because the junction becomes an insulator. In the latter case quantized Hall states form and Andreev scattering at the normal/superconducting interface will induce edge states. Our numerical calculation has become possible due to an extension of the Chebyshev-Bogoliubovde Gennes method to computations on video cards (GPUs).
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000297766600003 Publication Date 2011-12-06
  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 27 Open Access
  Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Euro GRAPHENE project CONGRAN. Discussions with Andrey Chaves are gratefully acknowledged. ; Approved Most recent IF: 3.836; 2011 IF: 3.691
  Call Number UA @ lucian @ c:irua:93962 Serial 3364
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Author Shenderova, O.; Koscheev, A.; Zaripov, N.; Petrov, I.; Skryabin, Y.; Detkov, P.; Turner, S.; Van Tendeloo, G.
  Title Surface chemistry and properties of ozone-purified detonation nanodiamonds Type A1 Journal article
  Year (down) 2011 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C
  Volume 115 Issue 20 Pages 9827-9837
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract Nanodiamond from ozone purification (NDO) demonstrates very distinctive properties within the class of detonation nanodiamonds, namely very high acidity and high colloidal stability in a broad pH range. To understand the origin of these unusual properties of NDO, the nature of the surface functional groups formed during detonation soot oxidation by ozone needs to be revealed. In this work, thermal desorption mass spectrometry (TDMS) and IR spectroscopy were used for the identification of surface groups and it was concluded that carboxylic anhydride groups prevail on the NDO surface. On the basis of the temperature profiles of the desorbed volatile products and their mass balance, it is hypothesized that decomposition of carboxylic anhydride groups from NDO during heating proceeds by two different mechanisms. Other distinctive features of NDO in comparison with air-treated nanodiamond are also reported.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Washington, D.C. Editor
  Language Wos 000290652200001 Publication Date 2011-04-28
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1932-7447;1932-7455; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 4.536 Times cited 105 Open Access
  Notes Esteem 026019; Fwo Approved Most recent IF: 4.536; 2011 IF: 4.805
  Call Number UA @ lucian @ c:irua:89556 Serial 3394
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Author Yang, T.; Perkisas, T.; Hadermann, J.; Croft, M.; Ignatov, A.; Van Tendeloo, G.; Greenblatt, M.
  Title Synthesis and structure determination of ferromagnetic semiconductors LaAMnSnO6(A = Sr, Ba) Type A1 Journal article
  Year (down) 2011 Publication Journal of materials chemistry Abbreviated Journal J Mater Chem
  Volume 21 Issue 1 Pages 199-205
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract LaAMnSnO(6) (A = Sr, Ba) have been synthesized by high temperature solid-state reactions under dynamic 1% H(2)/Ar flow. Rietveld refinements on room temperature powder X-ray diffraction data indicate that LaSrMnSnO(6) crystallizes in the GdFeO(3)-structure, with space group Pnma and, combined with transmission electron microscopy, LaBaMnSnO(6) in Imma. Both space groups are common in disordered double-perovskites. The Mn(3+) and Sn(4+) ions whose valence states were confirmed by X-ray absorption spectroscopy, are completely disordered over the B-sites and the BO(6) octahedra are slightly distorted. LaAMnSnO(6) are ferromagnetic semiconductors with a T(C) = 83 K for the Sr- and 66 K for the Ba-compound. The title compounds, together with the previously reported LaCaMnSnO(6) provide an interesting example of progression from Pnma to Imma as the tolerance factor increases. An analysis of the relationship between space group and tolerance factor for the series LaAMnMO(6) (A = Ca, Sr, Ba; M = Sn, Ru) provides a better understanding of the symmetry determination for double perovskites.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Cambridge Editor
  Language Wos 000285067300025 Publication Date 2010-10-26
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0959-9428;1364-5501; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor Times cited 3 Open Access
  Notes Approved Most recent IF: NA
  Call Number UA @ lucian @ c:irua:95527 Serial 3440
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Author Stankovski, M.; Antonius, G.; Waroquiers, D.; Miglio, A.; Dixit, H.; Sankaran, K.; Giantomassi, M.; Gonze, X.; Côté, M.; Rignanese, G.-M.
  Title G0W0 band gap of ZnO : effects of plasmon-pole models Type A1 Journal article
  Year (down) 2011 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
  Volume 84 Issue 24 Pages 241201-241201,5
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract Carefully converged calculations are performed for the band gap of ZnO within many-body perturbation theory (G0W0 approximation). The results obtained using four different well-established plasmon-pole models are compared with those of explicit calculations without such models (the contour-deformation approach). This comparison shows that, surprisingly, plasmon-pole models depending on the f-sum rule gives less precise results. In particular, it confirms that the band gap of ZnO is underestimated in the G0W0 approach as compared to experiment, contrary to the recent claim of Shih et al. [ Phys. Rev. Lett. 105 146401 (2010)].
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000297766600001 Publication Date 2011-12-06
  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 81 Open Access
  Notes ; The authors would like to thank P. Zhang, S. Louie, J. Deslippe, P. Rinke, H. Jiang, C. Friedrich, and F. Bruneval for many helpful discussions. We are also very grateful to Y. Pouillon, A. Jacques, and J.-M. Beuken for their technical aid and expertise. M.C. and G.A. would like to acknowledge the support of NSERC and FQRNT. This work was supported by the Interuniversity Attraction Poles program (P6/42)-Belgian State-Belgian Science Policy, the Flemish Science Foundation (FWO-Vl) ISIMADE project, the EU's 7th Framework programme through the ETSF I3 e-Infrastructure project (Grant Agreement No. 211956), the Communaute francaise de Belgique, through the Action de Recherche Concertee 07/ 12-003 “Nanosystemes hybrides metal-organiques”, and the FNRS through FRFC Project No. 2.4.589.09.F. ; Approved Most recent IF: 3.836; 2011 IF: 3.691
  Call Number UA @ lucian @ c:irua:93963 Serial 3533
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Author Eckert, M.; Mortet, V.; Zhang, L.; Neyts, E.; Verbeeck, J.; Haenen, ken; Bogaerts, A.
  Title Theoretical investigation of grain size tuning during prolonged bias-enhanced nucleation Type A1 Journal article
  Year (down) 2011 Publication Chemistry of materials Abbreviated Journal Chem Mater
  Volume 23 Issue 6 Pages 1414-1423
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract In this paper, the effects of prolonged bias-enhanced nucleation (prolonged BEN) on the growth mechanisms of diamond are investigated by molecular dynamics (MD) and combined MD-Metropolis Monte Carlo (MD-MMC) simulations. First, cumulative impacts of CxHy+ and Hx+ on an a-C:H/nanodiamond composite were simulated; second, nonconsecutive impacts of the dominant ions were simulated in order to understand the observed phenomena in more detail. As stated in the existing literature, the growth of diamond structures during prolonged BEN is a process that takes place below the surface of the growing film. The investigation of the penetration behavior of CxHy+ and Hx+ species shows that the carbon-containing ions remain trapped within this amorphous phase where they dominate mechanisms like precipitation of sp3 carbon clusters. The H+ ions, however, penetrate into the crystalline phase at high bias voltages (>100 V), destroying the perfect diamond structure. The experimentally measured reduction of grain sizes at high bias voltage, reported in the literature, might thus be related to penetrating H+ ions. Furthermore, the CxHy+ ions are found to be the most efficient sputtering agents, preventing the build up of defective material.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Washington, D.C. Editor
  Language Wos 000288291400011 Publication Date 2011-02-23
  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 9 Open Access
  Notes Iwt; Fwo; Esteem 026019; Iap Approved Most recent IF: 9.466; 2011 IF: 7.286
  Call Number UA @ lucian @ c:irua:87642 Serial 3605
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Author Grodzinska, D.; Pietra, F.; van Huis, M.A.; Vanmaekelbergh, D.; de Mello Donegá, C.
  Title Thermally induced atomic reconstruction of PbSe/CdSe core/shell quantum dots into PbSe/CdSe bi-hemisphere hetero-nanocrystals Type A1 Journal article
  Year (down) 2011 Publication Journal of materials chemistry Abbreviated Journal J Mater Chem
  Volume 21 Issue 31 Pages 11556-11565
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract The properties of hetero-nanocrystals (HNCs) depend strongly on the mutual arrangement of the nanoscale components. In this work we have investigated the structural and morphological evolution of colloidal PbSe/CdSe core/shell quantum dots upon annealing under vacuum. Prior to annealing the PbSe core has an approximately octahedral morphology with eight {111} facets, and the CdSe shell has zinc-blende crystal structure. Thermal annealing under vacuum at temperatures between 150 °C and 200 °C induces a structural and morphological reconstruction of the HNCs whereby the PbSe core and the CdSe shell are reorganized into two hemispheres joined by a common {111} Se plane. This thermally induced reconstruction leads to considerable changes in the optical properties of the colloidal PbSe/CdSe HNCs.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Cambridge Editor
  Language Wos 000293190200018 Publication Date 2011-04-21
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0959-9428;1364-5501; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor Times cited 44 Open Access
  Notes Approved Most recent IF: NA
  Call Number UA @ lucian @ c:irua:91945 Serial 3632
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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 (down) 2011 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
  Volume 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 (down) 2011 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
  Volume 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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Author Idrissi, H.; Wang, B.; Colla, M.S.; Raskin, J.P.; Schryvers, D.; Pardoen, T.
  Title Ultrahigh strain hardening in thin palladium films with nanoscale twins Type A1 Journal article
  Year (down) 2011 Publication Advanced materials Abbreviated Journal Adv Mater
  Volume 23 Issue 18 Pages 2119-2122
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract Nanocrystalline Pd thin films containing coherent growth twin boundaries are deformed using on-chip nanomechanical testing. A large work-hardening capacity is measured. The origin of the observed behavior is unraveled using transmission electron microscopy and shows specific dislocations and twin boundaries interactions. The results indicate the potential for large strength and ductility balance enhancement in Pd films, as needed in membranes for H technologies.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Weinheim Editor
  Language Wos 000291164200013 Publication Date 2011-04-04
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0935-9648; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 19.791 Times cited 57 Open Access
  Notes Iap Approved Most recent IF: 19.791; 2011 IF: 13.877
  Call Number UA @ lucian @ c:irua:90103 Serial 3794
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Author Kazakov, S.M.; Abakumov, A.M.; Perz-Mato, J.M.; Ovchinnikov, A.V.; Roslova, M.V.; Boltalin, A.I.; Morozov, I.V.; Antipov, E.V.; Van Tendeloo, G.
  Title Uniform patterns of Fe-vacancy ordering in the Kx(Fe,Co)2-ySe2 superconductors Type A1 Journal article
  Year (down) 2011 Publication Chemistry of materials Abbreviated Journal Chem Mater
  Volume 23 Issue 19 Pages 4311-4316
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract The Fe-vacancy ordering patterns in the superconducting KxFe2ySe2 and nonsuperconducting Kx(Fe,Co)2ySe2 samples have been investigated by electron diffraction and high angle annular dark field scanning transmission electron microscopy. The Fe-vacancy ordering occurs in the ab plane of the parent ThCr2Si2-type structure, demonstrating two types of patterns. Superstructure I retains the tetragonal symmetry and can be described with the aI = bI = as√5 (as is the unit cell parameter of the parent ThCr2Si2-type structure) supercell and I4/m space group. Superstructure II reduces the symmetry to orthorhombic with the aII = as√2, bII = 2as√2 supercell and the Ibam space group. This type of superstructure is observed for the first time in KxFe2ySe2. The Fe-vacancy ordering is inhomogeneous: the disordered areas interleave with the superstructures I and II in the same crystallite. The observed superstructures represent the compositionally dependent uniform ordering patterns of two species (the Fe atoms and vacancies) on a square lattice. More complex uniform ordered configurations, including compositional stripes, can be predicted for different chemical compositions of the KxFe2ySe2 (0 < y < 0.5) solid solutions.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Washington, D.C. Editor
  Language Wos 000295487800005 Publication Date 2011-09-13
  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 20 Open Access
  Notes Approved Most recent IF: 9.466; 2011 IF: 7.286
  Call Number UA @ lucian @ c:irua:92805 Serial 3810
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Author Rønnow, T.F.; Pedersen, T.G.; Partoens, B.; Berthelsen, K.K.
  Title Variational quantum Monte Carlo study of charged excitons in fractional dimensional space Type A1 Journal article
  Year (down) 2011 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
  Volume 84 Issue 3 Pages 035316-035316,13
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract In this article we study excitons and trions in fractional dimensional spaces using the model suggested by C. Palmer [ J. Phys. A: Math. Gen. 37 6987 (2004)] through variational quantum Monte Carlo. We present a direct approach for estimating the exciton binding energy and discuss the von Neumann rejection- and Metropolis sampling methods. A simple variational estimate of trions is presented which shows good agreement with previous calculations done within the fractional dimensional model presented by D. R. Herrick and F. H. Stillinger [ Phys. Rev. A 11 42 (1975) and J. Math. Phys. 18 1224 (1977)]. We explain the spatial physics of the positive and negative trions by investigating angular and inter-atomic distances. We then examine the wave function and explain the differences between the positive and negative trions with heavy holes. As applications of the fractional dimensional model we study three systems: First we apply the model to estimate the energy of the hydrogen molecular ion H2+. Then we estimate trion binding energies in GaAs-based quantum wells and we demonstrate a good agreement with other theoretical work as well as experimentally observed binding energies. Finally, we apply the results to carbon nanotubes. We find good agreement with recently observed binding energies of the positively charged trion.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000293129200012 Publication Date 2011-07-26
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.836 Times cited 15 Open Access
  Notes ; ; Approved Most recent IF: 3.836; 2011 IF: 3.691
  Call Number UA @ lucian @ c:irua:91741 Serial 3837
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Author Liu, C.-Y.; Berdiyorov, G.R.; Milošević, M.V.
  Title Vortex states in layered mesoscopic superconductors Type A1 Journal article
  Year (down) 2011 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
  Volume 83 Issue 10 Pages 104524-104524,10
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract Within the Ginzburg-Landau theory, we study the vortex structures in three-dimensional anisotropic mesoscopic superconductors in the presence of a uniform magnetic field. Anisotropy is included through varied Tc in different layers of the sample and leads to distinct differences in the vortex states and their free energy. Several unconventional states are found, some comprising vortex clusters or exhibiting asymmetry. In a tilted magnetic field, we found second-order transitions between different vortex states, although vortex entry is generally a first-order transition in mesoscopic samples. In multilayered samples the kinked vortex strings are formed owing to the competing interactions of vortices with Meissner currents and the weak-link boundaries. The length and deformation of vortex fragments are determined solely by the inclination and strength of applied magnetic field, and this lock-in does not depend on the degree of anisotropy between the superconducting layers.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000288998200003 Publication Date 2011-03-31
  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 22 Open Access
  Notes ; ; Approved Most recent IF: 3.836; 2011 IF: 3.691
  Call Number UA @ lucian @ c:irua:89375 Serial 3888
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Author Chaves, A.; Peeters, F.M.; Farias, G.A.; Milošević, M.V.
  Title Vortex-vortex interaction in bulk superconductors : Ginzburg-Landau theory Type A1 Journal article
  Year (down) 2011 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
  Volume 83 Issue 5 Pages 054516-054516,14
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract The vortex-vortex interaction potential in bulk superconductors is calculated within the Ginzburg-Landau (GL) theory and is obtained from a numerical solution of a set of two coupled nonlinear GL differential equations for the vector potential and the superconducting order parameter, where the merger of vortices into a giant vortex is allowed. Further, the interaction potentials between a vortex and a giant vortex and between a vortex and an antivortex are obtained for both type-I and type-II superconductors. Our numerical results agree asymptotically with the analytical expressions for large intervortex separations that are available in the literature. We propose empirical expressions valid over the full interaction range, which are fitted to our numerical data for different values of the GL parameter.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000287712100009 Publication Date 2011-02-25
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.836 Times cited 31 Open Access
  Notes ; Discussions with J. S. Andrade Jr. and A. A. Moreira are gratefully acknowledged. This work was financially supported by CNPq, under Contract No. NanoBioEstruturas 555183/2005-0, PRONEX/FUNCAP, CAPES, the Bilateral programme between Flanders and Brazil, the collaborative project CNPq-FWO-Vl, the Belgian Science Policy (IAP), and the Flemish Science Foundation (FWO-Vl). ; Approved Most recent IF: 3.836; 2011 IF: 3.691
  Call Number UA @ lucian @ c:irua:88805 Serial 3899
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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 (down) 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 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 Afanasov, I.M.; Van Tendeloo, G.
  Title Zirconia-modified exfoliated graphite Type A1 Journal article
  Year (down) 2011 Publication Inorganic materials Abbreviated Journal Inorg Mater+
  Volume 47 Issue 6 Pages 603-608
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract Zirconia has been incorporated into exfoliated graphite (EG) through the anodic polarization in the natural graphite-ZrO(NO3)2-HNO3-H2O system, followed by flash heating. The thermal properties of the oxidized graphites employed as precursors to EG have been studied by thermogravimetry in combination with differential scanning calorimetry, and the distribution of ZrO2 particles in the EG has been assessed by scanning and transmission electron microscopy. Conditions are described for the preparation of EG with bulk densities in the range 1.34.7 g/l and ZrO2 contents in the range 434 wt %.
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  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000291698100008 Publication Date 2011-05-24
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0020-1685;1608-3172; ISBN Additional Links UA library record; WoS full record
  Impact Factor 0.62 Times cited Open Access
  Notes Approved Most recent IF: 0.62; 2011 IF: 0.414
  Call Number UA @ lucian @ c:irua:90447 Serial 3933
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