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Author Hervieu, M.; Martin, C.; Maignan, A.; Van Tendeloo, G.; Jirak, Z.; Hejtmanek, J.; Barnabe, A.; Thopart, D.; Raveau, B.
Title Structural and magnetotransport transitions in the electron-doped Pr1-xSrxMnO3(0.85\leq x\leq1) manganites Type A1 Journal article
Year 2000 Publication Chemistry and materials Abbreviated Journal Chem Mater
Volume 12 Issue 5 Pages 1456-1462
Keywords (up) A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The exploration of the Mn4+-rich side of the Pr1-xSrxMnO3 system has allowed the extension of the domain of the cubic perovskite, by using a two-step process, combining synthesis under Ar flow at high temperature and O-2 pressure annealing at lower temperature. We show that these Pr-doped cubic perovskites exhibit a coupled structural (cubic-tetragonal) and magnetic (para-antiferro) transition connected with a resistivity jump at the same temperature. The strong interplay between lattice, charges, and spins for these oxides results from the appearance at low temperature of the distorted C-type antiferromagnetic structure. The Pr1-xSrxMnO3 magnetic phase diagram shows, for 0.9 less than or equal to x less than or equal to 1 (i.e., on the Mn4+-rich side), the existence at low temperature of C- and G-type antiferromagnetism. The absence of ferromagnetic-antiferromagnetic competition explains that magnetoresistante properties are not observed in this system, in contrast to Mn4+-rich Ln(1-x)Ca(x)MnO(3) systems.
Address
Corporate Author Thesis
Publisher Place of Publication Washington, D.C. Editor
Language Wos 000087136800039 Publication Date 2002-07-26
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 24 Open Access
Notes Approved Most recent IF: 9.466; 2000 IF: 3.580
Call Number UA @ lucian @ c:irua:103454 Serial 3198
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Author Turner, S.; Lebedev, O.I.; Verbeeck, J.; Gehrke, K.; Moshnyaga, V.; Van Tendeloo, G.
Title Structural phase transition and spontaneous interface reconstruction in La2/3Ca1/3MnO3/BaTiO3 superlattices Type A1 Journal article
Year 2013 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 87 Issue 3 Pages 035418-8
Keywords (up) A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract (La2/3Ca1/3MnO3)n/(BaTiO3)m (LCMOn/BTOm) superlattices on MgO and SrTiO3 substrates with different layer thicknesses (n = 10, 38, 40 and m = 5, 18, 20) have been grown by metal organic aerosol deposition (MAD) and have been fully characterized down to the atomic scale to study the interface characteristics. Scanning transmission electron microscopy combined with spatially resolved electron energy-loss spectroscopy provides clear evidence for the existence of atomically sharp interfaces in MAD grown films, which exhibit epitaxial growth conditions, a uniform normal strain, and a fully oxidized state. Below a critical layer thickness the LCMO structure is found to change from the bulk Pnma symmetry to a pseudocubic R3̅ c symmetry. An atomically flat interface reconstruction consisting of a single Ca-rich atomic layer is observed on the compressively strained BTO on LCMO interface, which is thought to partially neutralize the total charge from the alternating polar atomic layers in LCMO as well as relieving strain at the interface. No interface reconstruction is observed at the tensile strained LCMO on BTO interface.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000313940400008 Publication Date 2013-01-23
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 12 Open Access
Notes FWO; Hercules; Countatoms Approved Most recent IF: 3.836; 2013 IF: 3.664
Call Number UA @ lucian @ c:irua:106180 Serial 3245
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Author Lebedev, O.I.; Verbeeck, J.; Van Tendeloo, G.; Shapoval, O.; Belenchuk, A.; Moshnyaga, V.; Damaschke, B.; Samwer, K.
Title Structural phase transitions and stress accommodation in (La0.67Ca0.33MnO3)1.x:(MgO)x composite films Type A1 Journal article
Year 2002 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 66 Issue 10 Pages 104421,1-10
Keywords (up) A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Composite (La0.67Ca0.33MnO3)(1-x):(MgO)(x) films were prepared by metalorganic aerosol deposition on a (100)MgO substrate for different concentrations of the (MgO) phase (0less than or equal toxless than or equal to0.8). At xapproximate to0.3 a percolation threshold in conductivity is reached, at which an infinite insulating MgO cluster forms around the La0.67Ca0.33MnO3 grains. This yields a drastic increase of the electrical resistance for films with x>0.3. The film structure is characterized by x-ray diffraction and transmission electron microscopy. The local structure of the La0.67Ca0.33MnO3 within the film depends on the MgO concentration which grows epitaxially along the domain boundaries. A different structural phase transition from the orthorhombic Pnma structure to an unusual rhombohedral R (3) over barc structure at the percolation threshold xapproximate to0.3 is found for La0.67Ca0.33MnO3. A three-dimensional stress accommodation in thick films through a phase transition is suggested.
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000178460900060 Publication Date 2002-09-25
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0163-1829;1095-3795; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 48 Open Access
Notes Approved Most recent IF: 3.836; 2002 IF: NA
Call Number UA @ lucian @ c:irua:54740 Serial 3250
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Author Rossell, M.D.; Abakumov, A.M.; Van Tendeloo, G.; Pardo, J.A.; Santiso, J.
Title Structure and microstructure of epitaxial Sr4Fe6O13-\delta films on SrTiO3 Type A1 Journal article
Year 2004 Publication Chemistry and materials Abbreviated Journal Chem Mater
Volume 16 Issue Pages 2578-2584
Keywords (up) A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The crystal structure and the microstructure of epitaxial Sr4Fe6O13+/-delta thin films grown on a single-crystal SrTiO3 substrate by PLD have been investigated. A combination of electron diffraction and high-resolution microscopy allows us to refine the structure and to identify an incommensurate modulation in the Sr4Fe6O13+/-delta films. The incommensurate structure (q = alphaa(m)* approximate to 0.39alpha(m)*, superspace group Xmmm(alpha00)0s0) can be interpreted as an oxygen-deficient modification in the Fe2O2.5 double layers. Moreover, it is shown that the experimentally determined a component of the modulation can be used consistently to estimate the local oxygen content in the Sr4Fe6O13+/-delta films. The compound composition can therefore be described as Sr4Fe6O12+2alpha and the value alpha = 0.39 corresponds to a Sr4Fe6O12.78 composition. The misfit stress along the Sr4Fe6O13+/-delta/SrTiO3 interface is accommodated via both elastic deformation and inelastic mechanisms (misfit dislocations and 90degrees rotation twins). The present results also suggest the existence of SrFeO3 perovskite in the Sr4Fe6O13+/-delta films.
Address
Corporate Author Thesis
Publisher Place of Publication Washington, D.C. Editor
Language Wos 000222252300011 Publication Date 2004-06-22
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 26 Open Access
Notes Approved Most recent IF: 9.466; 2004 IF: 4.103
Call Number UA @ lucian @ c:irua:54770 Serial 3286
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Author Lebedev, O.I.; Van Tendeloo, G.; Amelinckx, S.; Leibold, B.; Habermeier, H.-U.
Title Structure and microstructure of La1-xCaxMnO3- thin films prepared by pulsed layer deposition Type A1 Journal article
Year 1998 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 58 Issue 12 Pages 8065-8074
Keywords (up) A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000076130500085 Publication Date 2002-07-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0163-1829;1095-3795; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 131 Open Access
Notes Approved Most recent IF: 3.836; 1998 IF: NA
Call Number UA @ lucian @ c:irua:25679 Serial 3288
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Author Lebedev, O.I.; Van Tendeloo, G.; Cristiani, G.; Habermeier, H.-U.; Matveev, A.T.
Title Structure-properties relationship in ferromagnetic superconducting RuSr2GdCu2O8 Type A1 Journal article
Year 2005 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 71 Issue Pages 134523,1-8
Keywords (up) A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000228761800097 Publication Date 2005-04-28
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 16 Open Access
Notes Iap V-1 Approved Most recent IF: 3.836; 2005 IF: 3.185
Call Number UA @ lucian @ c:irua:54747 Serial 3316
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Author Lebedev, O.I.; Van Tendeloo, G.; Licci, F.; Gilioli, E.; Gauzzi, A.; Prodi, A.; Marezio, M.
Title Superconductivity and microstructure of YSr2Cu3O6.875 Type A1 Journal article
Year 2002 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 66 Issue Pages 132510,1-4
Keywords (up) A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000179067900042 Publication Date 2002-10-29
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0163-1829;1095-3795; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 9 Open Access
Notes Approved Most recent IF: 3.836; 2002 IF: NA
Call Number UA @ lucian @ c:irua:54742 Serial 3371
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Author Titantah, J.T.; Lamoen, D.
Title Technique for the sp2/sp3 characterization of carbon materials: ab initio calculation of near-edge structure in electron energy-loss spectra Type A1 Journal article
Year 2004 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 70 Issue Pages 033101
Keywords (up) A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000223716600040 Publication Date 2004-08-31
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 41 Open Access
Notes Approved Most recent IF: 3.836; 2004 IF: 3.075
Call Number UA @ lucian @ c:irua:47374 Serial 3471
Permanent link to this record
 
 
Author Titantah, J.T.; Lamoen, D.; Schowalter, M.; Rosenauer, A.
Title Temperature effect on the 002 structure factor of ternary Ga1-xInxAs crystals Type A1 Journal article
Year 2007 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 76 Issue 7 Pages 073303,1-4
Keywords (up) A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000249155300011 Publication Date 2007-08-03
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 3 Open Access
Notes Approved Most recent IF: 3.836; 2007 IF: 3.172
Call Number UA @ lucian @ c:irua:66116 Serial 3499
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Author Milants, K.; Hendrickx, P.; Verheyden, J.; Barancira, T.; Deweerd, W.; Pattyn, H.; Bukshpan, S.; Vermeiren, F.; Van Tendeloo, G.
Title 133Xe(Cs) Mössbauer measurements on Ar, Ne, Kr, Xe, Rb, and Cs inclusions in W and Mo Type A1 Journal article
Year 1997 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 55 Issue 5 Pages 2831-2839
Keywords (up) A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos A1997WG88600034 Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1098-0121; 0163-1829 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 2 Open Access
Notes Approved Most recent IF: 3.836; 1997 IF: NA
Call Number UA @ lucian @ c:irua:21422 Serial 3512
Permanent link to this record
 
 
Author Tsirlin, A.A.; Abakumov, A.M.; Ritter, C.; Rosner, H.
Title (CuCl)LaTa2O\text{7} and quantum phase transition in the (CuX)LaM2O7 family (X=Cl, Br; M=Nb, Ta) Type A1 Journal article
Year 2012 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 86 Issue 6 Pages 064440-12
Keywords (up) A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract We apply neutron diffraction, high-resolution synchrotron x-ray diffraction, magnetization measurements, electronic structure calculations, and quantum Monte-Carlo simulations to unravel the structure and magnetism of (CuCl)LaTa2O7. Despite the pseudo-tetragonal crystallographic unit cell, this compound features an orthorhombic superstructure, similar to the Nb-containing (CuX)LaNb2O7 with X = Cl and Br. The spin lattice entails dimers formed by the antiferromagnetic fourth-neighbor coupling J(4), as well as a large number of nonequivalent interdimer couplings quantified by an effective exchange parameter J(eff). In (CuCl)LaTa2O7, the interdimer couplings are sufficiently strong to induce the long-range magnetic order with the Neel temperature T-N similar or equal to 7 K and the ordered magnetic moment of 0.53 mu(B), as measured with neutron diffraction. This magnetic behavior can be accounted for by J(eff)/J(4) similar or equal to 1.6 and J(4) similar or equal to 16 K. We further propose a general magnetic phase diagram for the (CuCl)LaNb2O7-type compounds, and explain the transition from the gapped spin-singlet (dimer) ground state in (CuCl)LaNb2O7 to the long-range antiferromagnetic order in (CuCl)LaTa2O7 and (CuBr)LaNb2O7 by an increase in the magnitude of the interdimer couplings J(eff)/J(4), with the (CuCl)LaM2O7 (M = Nb, Ta) compounds lying on different sides of the quantum critical point that separates the singlet and long-range-ordered magnetic ground states.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000308127600006 Publication Date 2012-08-29
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 6 Open Access
Notes Approved Most recent IF: 3.836; 2012 IF: 3.767
Call Number UA @ lucian @ c:irua:101886 Serial 3526
Permanent link to this record
 
 
Author Verbeeck, J.; Lebedev, O.I.; Van Tendeloo, G.; Mercey, B.
Title SrTiO3(100)/(LaMnO3)m(SrMnO3)n layered heterostructures: a combined EELS and TEM study Type A1 Journal article
Year 2002 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 66 Issue 18 Pages 184426
Keywords (up) A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Epitaxially grown heterostructures consisting of alternating layers of LaMnO(3) (LMO, 9 or 15 unit cells) and SrMnO(3) (SMO, 4 or 6 unit cells) on a SrTiO(3)(100) (STO(100)) substrate have been studied by a combination of high resolution transmission electron microscopy (HRTEM), electron diffraction, quantitative electron energy loss spectroscopy (EELS) with model fitting, energy filtered TEM (EFTEM) and imaging spectroscopy on an atomic scale. The combination of these techniques is necessary for the structural, chemical, and electronic characterization of these heterostructures. A model is proposed containing chemically and structurally sharp interfaces. The SrMnO(3) layers are stabilized in a Pm3m structure between two LMO layers. Tensile stress causes oxygen deficiency in the SMO layers increasing the number of 3d electrons on the Mn sites to resemble the Mn(3+) sites in LMO. The energy loss near edge structure (ELNES) of O and Mn is compared for both LMO and SMO layers and shows that the Mn-O bonds have a partially covalent character. The absence of a strong valency effect in the Mn ELNES is due to the oxygen vacancies in SMO.
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000179633100062 Publication Date 2002-11-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0163-1829;1095-3795; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 32 Open Access
Notes Approved Most recent IF: 3.836; 2002 IF: NA
Call Number UA @ lucian @ c:irua:54741 Serial 3563
Permanent link to this record
 
 
Author Rossell, M.D.; Abakumov, A.M.; Van Tendeloo, G.; Lomakov, M.V.; Istomin, S.Y.; Antipov, E.V.
Title Transmission electron microscopic study of the defect structure in Sr4Fe6O12+\delta compounds with variable oxygen content Type A1 Journal article
Year 2005 Publication Chemistry and materials Abbreviated Journal Chem Mater
Volume 17 Issue Pages 4717-4726
Keywords (up) A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000231742600024 Publication Date 2005-08-30
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 17 Open Access
Notes Approved Most recent IF: 9.466; 2005 IF: 4.818
Call Number UA @ lucian @ c:irua:54772 Serial 3703
Permanent link to this record
 
 
Author Pauwels, B.; Van Tendeloo, G.; Zhurkin, E.; Hou, M.; Verschoren, G.; Kuhn, L.T.; Bouwen, W.; Lievens, P.
Title Transmission electron microscopy and Monte Carlo simulations of ordering in Au-Cu clusters produced in a laser vaporization source Type A1 Journal article
Year 2001 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 63 Issue Pages 165406,1-9
Keywords (up) A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000168343400086 Publication Date 2002-07-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0163-1829;1095-3795; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 64 Open Access
Notes Approved Most recent IF: 3.836; 2001 IF: NA
Call Number UA @ lucian @ c:irua:54737 Serial 3705
Permanent link to this record
 
 
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 82 Issue 9 Pages 094421-094421,8
Keywords (up) 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
Permanent link to this record
 
 
Author Juchtmans, R.; Béché, A.; Abakumov, A.; Batuk, M.; Verbeeck, J.
Title Using electron vortex beams to determine chirality of crystals in transmission electron microscopy Type A1 Journal article
Year 2015 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 91 Issue 91 Pages 094112
Keywords (up) A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract We investigate electron vortex beams elastically scattered on chiral crystals. After deriving a general expression for the scattering amplitude of a vortex electron, we study its diffraction on point scatterers arranged on a helix. We derive a relation between the handedness of the helix and the topological charge of the electron vortex on one hand and the symmetry of the higher-order Laue zones in the diffraction pattern on the other for kinematically and dynamically scattered electrons. We then extend this to atoms arranged on a helix as found in crystals which belong to chiral space groups and propose a method to determine the handedness of such crystals by looking at the symmetry of the diffraction pattern. In contrast to alternative methods, our technique does not require multiple scattering, which makes it possible to also investigate extremely thin samples in which multiple scattering is suppressed. In order to verify the model, elastic scattering simulations are performed, and an experimental demonstration on Mn2Sb2O7 is given in which we find the sample to belong to the right-handed variant of its enantiomorphic pair. This demonstrates the usefulness of electron vortex beams to reveal the chirality of crystals in a transmission electron microscope and provides the required theoretical basis for further developments in this field.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000352017000002 Publication Date 2015-03-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 54 Open Access
Notes Fwo; 312483 Esteem2; 278510 Vortex; esteem2jra1; esteem2jra2 ECASJO_; Approved Most recent IF: 3.836; 2015 IF: 3.736
Call Number c:irua:125512 c:irua:125512 Serial 3825
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Author Juchtmans, R.; Verbeeck, J.
Title Orbital angular momentum in electron diffraction and its use to determine chiral crystal symmetries Type A1 Journal article
Year 2015 Publication Physical review: B: condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 92 Issue 92 Pages 134108
Keywords (up) A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract In this work we present an alternative way to look at electron diffraction in a transmission electron microscope.

Instead of writing the scattering amplitude in Fourier space as a set of plane waves,we use the cylindrical Fourier transform to describe the scattering amplitude in a basis of orbital angular momentum (OAM) eigenstates. We show how working in this framework can be very convenient when investigating, e.g., rotation and screw-axis symmetries. For the latter we find selection rules on the OAM coefficients that unambiguously reveal the handedness of the screw axis. Detecting the OAM coefficients of the scattering amplitude thus offers the possibility to detect the handedness of crystals without the need for dynamical simulations, the thickness of the sample, nor the exact crystal structure. We propose an experimental setup to measure the OAM components where an image of the crystal is taken after inserting a spiral phase plate in the diffraction plane and perform multislice simulations on α quartz to demonstrate how the method indeed reveals the chirality. The experimental feasibility of the technique is discussed together with its main advantages with respect to chirality determination of screw axes. The method shows how the use of a spiral phase plate can be extended from a simple phase imaging technique to a tool to measure the local OAM decomposition of an electron wave, widening the field of interest well beyond chiral space group determination.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000362893100002 Publication Date 2015-10-14
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1098-0121; 1550-235x ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 16 Open Access
Notes The authors acknowledge support from the FWO (As- pirant Fonds Wetenschappelijk Onderzoek–Vlaanderen), the EU under the Seventh Framework Program (FP7) under a contract for an Integrated Infrastructure Initiative, Reference No. 312483-ESTEEM2, and ERC Starting Grant No. 278510 VORTEX; esteem2jra1; ECASJO; Approved Most recent IF: 3.836; 2015 IF: 3.736
Call Number c:irua:129417 c:irua:129417UA @ admin @ c:irua:129417 Serial 4089
Permanent link to this record
 
 
Author Ekimov, E.A.; Kudryavtsev, O.S.; Turner, S.; Korneychuk, S.; Sirotinkin, V.P.; Dolenko, T.A.; Vervald, A.M.; Vlasov, I.I.
Title The effect of molecular structure of organic compound on the direct high-pressure synthesis of boron-doped nanodiamond: Effect of organic compound on synthesis of boron-doped nanodiamond Type A1 Journal article
Year 2016 Publication Physica status solidi : A : applications and materials science Abbreviated Journal Phys Status Solidi A
Volume 213 Issue 213 Pages 2582-2589
Keywords (up) A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Evolution of crystalline phases with temperature has been studied in materials produced by high-pressure high-temperature treatment of 9-borabicyclo[3.3.1]nonane dimer (9BBN), triphenylborane and trimesitylborane. The boron-doped diamond nanoparticles with a size below 10 nm were obtained at 8–9 GPa and temperatures 970–1250 °C from 9BBN only. Bridged structure and the presence of boron atom in the carbon cycle of 9BBN were revealed to be a key point for the direct synthesis of doped diamond nanocrystals. The diffusional transformation of the disordered carbon phase is suggested to be the main mechanism of the nanodiamond formation from 9BBN in the temperature range of 970–1400 °C. Aqueous suspensions of primary boron-doped diamond nanocrystals were prepared upon removal of non-diamond phases that opens wide opportunities for application of this new nanomaterial in electronics and biotechnologies.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000388321500006 Publication Date 2016-07-04
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 Approved Most recent IF: 1.775
Call Number EMAT @ emat @ c:irua:135175 Serial 4120
Permanent link to this record
 
 
Author Jalabert, D.; Pelloux-Gervais, D.; Béché, A.; Hartmann, J.M.; Gergaud, P.; Rouvière, J.L.; Canut, B.
Title Depth strain profile with sub-nm resolution in a thin silicon film using medium energy ion scattering Type A1 Journal article
Year 2012 Publication Physica Status Solidi A-Applications And Materials Science Abbreviated Journal Phys Status Solidi A
Volume 209 Issue 2 Pages 265-267
Keywords (up) A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The depth strain profile in silicon from the Si (001) substrate to the surface of a 2 nm thick Si/12 nm thick SiGe/bulk Si heterostructure has been determined by medium energy ion scattering (MEIS). It shows with sub-nanometer resolution and high strain sensitivity that the thin Si cap presents residual compressive strain caused by Ge diffusion coming from the fully strained SiGe layer underneath. The strain state of the SiGe buffer have been checked by X-ray diffraction (XRD) and nano-beam electron diffraction (NBED) measurements.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000303382700005 Publication Date 2011-11-11
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 3 Open Access
Notes Approved Most recent IF: 1.775; 2012 IF: 1.469
Call Number UA @ lucian @ c:irua:136430 Serial 4497
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Author Sankaran, K.J.; Hoang, D.Q.; Srinivasu, K.; Korneychuk, S.; Turner, S.; Drijkoningen, S.; Pobedinskas, P.; Verbeeck, J.; Leou, K.C.; Lin, I.N.; Haenen, K.
Title Type A1 Journal article
Year 2016 Publication Physica status solidi : A : applications and materials science Abbreviated Journal Phys Status Solidi A
Volume 213 Issue 10 Pages 2654-2661
Keywords (up) A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Utilization of Au and nanocrystalline diamond ( NCD) as interlayers noticeably modifies the microstructure and field electron emission ( FEE) properties of hexagonal boron nitride nanowalls ( hBNNWs) grown on Si substrates. The FEE properties of hBNNWs on Au could be turned on at a low turn-on field of 14.3V mu m(-1), attaining FEE current density of 2.58mAcm(-2) and life-time stability of 105 min. Transmission electron microscopy reveals that the Au-interlayer nucleates the hBN directly, preventing the formation of amorphous boron nitride ( aBN) in the interface, resulting in enhanced FEE properties. But Au forms as droplets on the Si substrate forming again aBN at the interface. Conversely, hBNNWs on NCD shows superior in life-time stability of 287 min although it possesses inferior FEE properties in terms of larger turn-on field and lower FEE current density as compared to that of hBNNWs-Au. The uniform and continuous NCD film on Si also circumvents the formation of aBN phases and allows hBN to grow directly on NCD. Incorporation of carbon in hBNNWs from the NCD-interlayer improves the conductivity of hBNNWs, which assists in transporting the electrons efficiently from NCD to hBNNWs that results in better field emission of electrons with high life-time stability. (C) 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000388321500017 Publication Date 2016-09-27
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 5 Open Access
Notes The authors like to thank the financial support of the Research Foundation Flanders (FWO) via Research Projects G.0456.12 and G.0044.13N, the Methusalem “NANO” network. K. J. Sankaran, P. Pobedinskas, and S. Turner are FWO Postdoctoral Fellows of the Research Foundations Flanders (FWO). Approved Most recent IF: 1.775
Call Number UA @ lucian @ c:irua:144644UA @ admin @ c:irua:144644 Serial 4655
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Author Garud, S.; Gampa, N.; Allen, T.G.; Kotipalli, R.; Flandre, D.; Batuk, M.; Hadermann, J.; Meuris, M.; Poortmans, J.; Smets, A.; Vermang, B.
Title Surface passivation of CIGS solar cells using gallium oxide Type A1 Journal article
Year 2018 Publication Physica status solidi : A : applications and materials science Abbreviated Journal Phys Status Solidi A
Volume 215 Issue 7 Pages 1700826
Keywords (up) A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract This work proposes gallium oxide grown by plasma-enhanced atomic layer deposition, as a surface passivation material at the CdS buffer interface of Cu(In,Ga)Se-2 (CIGS) solar cells. In preliminary experiments, a metal-insulator-semiconductor (MIS) structure is used to compare aluminium oxide, gallium oxide, and hafnium oxide as passivation layers at the CIGS-CdS interface. The findings suggest that gallium oxide on CIGS may show a density of positive charges and qualitatively, the least interface trap density. Subsequent solar cell results with an estimated 0.5nm passivation layer show an substantial absolute improvement of 56mV in open-circuit voltage (V-OC), 1mAcm(-2) in short-circuit current density (J(SC)), and 2.6% in overall efficiency as compared to a reference (with the reference showing 8.5% under AM 1.5G).
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000430128500015 Publication Date 2018-02-27
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 Not_Open_Access
Notes ; The work published in this paper was supported by the European Research Council (ERC) under the Union's Horizon 2020 research and innovation programme (grant agreement No 715027). The authors would also like to thank Dr. Marcel Simor (Solliance) for the CIGS layer fabrication and Prof. Johan Lauwaert (Universtiy of Ghent) for his guidance on DLTS measurements. ; Approved Most recent IF: 1.775
Call Number UA @ lucian @ c:irua:150761 Serial 4981
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Author Korneychuk, S.; Guzzinati, G.; Verbeeck, J.
Title Measurement of the Indirect Band Gap of Diamond with EELS in STEM Type A1 Journal article
Year 2018 Publication Physica status solidi : A : applications and materials science Abbreviated Journal Phys Status Solidi A
Volume 215 Issue 22 Pages 1800318
Keywords (up) A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract In this work, a simple method to measure the indirect band gap of diamond with electron energy loss spectroscopy (EELS) in transmission electron microscopy (TEM) is showed. The authors discuss the momentum space resolution achievable with EELS and the possibility of deliberately selecting specific transitions of interest. Based on a simple 2 parabolic band model of the band structure, the authors extend our predictions from the direct band gap case discussed in previous work, to the case of an indirect band gap. Finally, the authors point out the emerging possibility to partly reconstruct the band structure with EELS exploiting our simplified model of inelastic scattering and support it with experiments on diamond.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000450818100004 Publication Date 2018-07-30
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 6 Open Access Not_Open_Access
Notes S.K. and J.V. acknowledge funding from the “Geconcentreerde Onderzoekacties” (GOA) project “Solarpaint” of the University of Antwerp. Financial support via the Methusalem “NANO” network is acknowledged. G.G. acknowledges support from a postdoctoral fellowship grant from the Fonds Wetenschappelijk Onderzoek-Vlaanderen (FWO). The Qu-Ant-EM microscope was partly funded by the Hercules fund from the Flemish Government. “Geconcentreerde Onderzoekacties” (GOA) project “Solarpaint”; Methusalem “NANO” network; Fonds Wetenschappelijk Onderzoek-Vlaanderen (FWO); Hercules fund from the Flemish Government; Approved Most recent IF: 1.775
Call Number EMAT @ emat @UA @ admin @ c:irua:155402 Serial 5138
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Author Callaert, C.; Bercx, M.; Lamoen, D.; Hadermann, J.
Title Interstitial defects in the van der Waals gap of Bi2Se3 Type A1 Journal article
Year 2019 Publication Acta Crystallographica. Section B: Structural Science, Crystal Engineering and Materials (Online) Abbreviated Journal Acta Crystallogr B
Volume 75 Issue 4 Pages 717-732
Keywords (up) A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Bi<sub>2</sub>Se<sub>3</sub>is a thermoelectric material and a topological insulator. It is slightly conducting in its bulk due to the presence of defects and by controlling the defects different physical properties can be fine tuned. However, studies of the defects in this material are often contradicting or inconclusive. Here, the defect structure of Bi<sub>2</sub>Se<sub>3</sub>is studied with a combination of techniques: high-resolution scanning transmission electron microscopy (HR-STEM), high-resolution energy-dispersive X-ray (HR-EDX) spectroscopy, precession electron diffraction tomography (PEDT), X-ray diffraction (XRD) and first-principles calculations using density functional theory (DFT). Based on these results, not only the observed defects are discussed, but also the discrepancies in results or possibilities across the techniques. STEM and EDX revealed interstitial defects with mainly Bi character in an octahedral coordination in the van der Waals gap, independent of the applied sample preparation method (focused ion beam milling or cryo-crushing). The inherent character of these defects is supported by their observation in the structure refinement of the EDT data. Moreover, the occupancy probability of the defects determined by EDT is inversely proportional to their corresponding DFT calculated formation energies. STEM also showed the migration of some atoms across and along the van der Waals gap. The kinetic barriers calculated using DFT suggest that some paths are possible at room temperature, while others are most probably beam induced.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000480512600024 Publication Date 2019-08-01
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2052-5206 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.032 Times cited Open Access
Notes University of Antwerp, 31445 ; Acknowledgements We thank Artem M. Abakumov for providing the original Bi2Se3 sample and are also very grateful to Christophe Vandevelde for trying repeatedly to get good single crystal X-ray diffraction data out of each of our failed attempts at making an undeformed single crystal. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center) and the HPC infrastructure of the University of Antwerp (CalcUA), both funded by the FWO-Vlaanderen and the Flemish Government-department EWI. Approved Most recent IF: 2.032
Call Number EMAT @ emat @c:irua:161847 Serial 5295
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Author Hadermann, J.; Abakumov, A.M.
Title Structure solution and refinement of metal-ion battery cathode materials using electron diffraction tomography Type A1 Journal article
Year 2019 Publication And Materials Abbreviated Journal
Volume 75 Issue 4 Pages 485-494
Keywords (up) A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The applicability of electron diffraction tomography to the structure solution and refinement of charged, discharged or cycled metal-ion battery positive electrode (cathode) materials is discussed in detail. As these materials are often only available in very small amounts as powders, the possibility of obtaining single-crystal data using electron diffraction tomography (EDT) provides unique access to crucial information complementary to X-ray diffraction, neutron diffraction and high-resolution transmission electron microscopy techniques. Using several examples, the ability of EDT to be used to detect lithium and refine its atomic position and occupancy, to solve the structure of materials ex situ at different states of charge and to obtain in situ data on structural changes occurring upon electrochemical cycling in liquid electrolyte is discussed.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000480512600002 Publication Date 2019-08-05
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 2 Open Access
Notes ; The following funding is acknowledged: Fonds Wetenschappelijk Onderzoek (grant No. G040116N); Russian Foundation of Basic Research (grant No. 17-03-00370-a). ; Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:161846 Serial 5397
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Author Missen, O.P.; Mills, S.J.; Canossa, S.; Hadermann, J.; Nenert, G.; Weil, M.; Libowitzky, E.; Housley, R.M.; Artner, W.; Kampf, A.R.; Rumsey, M.S.; Spratt, J.; Momma, K.; Dunstan, M.A.
Title Polytypism in mcalpineite : a study of natural and synthetic Cu₃TeO₆ Type A1 Journal article
Year 2022 Publication Acta Crystallographica. Section B: Structural Science, Crystal Engineering and Materials (Online) Abbreviated Journal Acta Crystallogr B
Volume 78 Issue 1 Pages
Keywords (up) A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Synthetic and naturally occurring forms of tricopper orthotellurate, (Cu3TeO6)-Te-II-O-IV (the mineral mcalpineite) have been investigated by 3D electron diffraction (3D ED), X-ray powder diffraction (XRPD), Raman and infrared (IR) spectroscopic measurements. As a result of the diffraction analyses, (Cu3TeO6)-Te-II-O-IV is shown to occur in two polytypes. The higher-symmetric (Cu3TeO6)-Te-II-O-IV-1C polytype is cubic, space group 1a (3) over bar, with a = 9.537 (1) angstrom and V = 867.4 (3) angstrom(3) as reported in previous studies. The 1C polytype is a well characterized structure consisting of alternating layers of (CuO6)-O-II octahedra and both (CuO6)-O-II and (TeO6)-O-VI octahedra in a patchwork arrangement. The structure of the lower-symmetric orthorhombic (Cu3TeO6)-Te-II-O-IV-2O polytype was determined for the first time in this study by 3D ED and verified by Rietveld refinement. The 2O polytype crystallizes in space group Pcca, with a = 9.745 (3) angstrom, b = 9.749 (2) angstrom, c = 9.771 (2) angstrom and V = 928.3 (4) angstrom(3) . High-precision XRPD data were also collected on (Cu3TeO6)-Te-II-O-IV-2O to verify the lower-symmetric structure by performing a Rietveld refinement. The resultant structure is identical to that determined by 3D ED, with unit-cell parameters a = 9.56157 (19) angstrom, b = 9.55853 (11) angstrom, c = 9.62891 (15) angstrom and V = 880.03 (2) angstrom(3) . The lower symmetry of the 2O polytype is a consequence of a different cation ordering arrangement, which involves the movement of every second (CuO6)-O-II and (TeO6)-O-VI octahedral layer by (1/4, 1/4, 0), leading to an offset of (TeO6)-O-VI and (CuO6)-O-II octahedra in every second layer giving an ABAB* stacking arrangement. Syntheses of (Cu3TeO6)-Te-II-O-IV showed that low-temperature (473 K) hydrothermal conditions generally produce the 2O polytype. XRPD measurements in combination with Raman spectroscopic analysis showed that most natural mcalpineite is the orthorhombic 2O polytype. Both XRPD and Raman spectroscopy measurements may be used to differentiate between the two polytypes of (Cu3TeO6)-Te-II-O-IV. In Raman spectroscopy, (Cu3TeO6)-Te-II-O-IV-1C has a single strong band around 730 cm(-1), whereas (Cu3TeO6)-Te-II-O-IV-2O shows a broad double maximum with bands centred around 692 and 742 cm(-1).
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000752899700003 Publication Date 2022-01-18
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2052-5206 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.9 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 1.9
Call Number UA @ admin @ c:irua:186529 Serial 6962
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Author Idrissi, H.; Carrez, P.; Cordier, P.
Title On amorphization as a deformation mechanism under high stresses Type A1 Journal article
Year 2022 Publication Current opinion in solid state and materials science Abbreviated Journal Curr Opin Solid St M
Volume 26 Issue 1 Pages 100976-17
Keywords (up) A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract In this paper we review the work related to amorphization under mechanical stress. Beyond pressure, we highlight the role of deviatoric or shear stresses. We show that the most recent works make amorphization appear as a deformation mechanism in its own right, in particular under extreme conditions (shocks, deformations under high stresses, high strain-rates).
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000779433300002 Publication Date 2022-01-13
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1359-0286 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 11 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 11
Call Number UA @ admin @ c:irua:188014 Serial 7064
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Author Matsubara, M.; Amini, M.N.; Saniz, R.; Lamoen, D.; Partoens, B.
Title Attracting shallow donors : hydrogen passivation in (Al,Ga,In)-doped ZnO Type A1 Journal article
Year 2012 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 86 Issue 16 Pages 165207
Keywords (up) A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
Abstract The hydrogen interstitial and the substitutional AlZn, GaZn, and InZn are all shallow donors in ZnO and lead to n-type conductivity. Although shallow donors are expected to repel each other, we show by first-principles calculations that in ZnO these shallow donor impurities attract and form a complex, leading to a donor level deep in the band gap. This puts a limit on the n-type conductivity of (Al,Ga,In)-doped ZnO in the presence of hydrogen.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000310131300008 Publication Date 2012-10-22
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 7 Open Access
Notes Iwt; Fwo; Bof-Noi Approved Most recent IF: 3.836; 2012 IF: 3.767
Call Number UA @ lucian @ c:irua:101780 Serial 202
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Author Govaerts, K.; Park, K.; De Beule, C.; Partoens, B.; Lamoen, D.
Title Effect of Bi bilayers on the topological states of Bi2Se3 : a first-principles study Type A1 Journal article
Year 2014 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 90 Issue 15 Pages 155124
Keywords (up) A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
Abstract Bi2Se3 is a three-dimensional topological insulator which has been extensively studied because it has a single Dirac cone on the surface, inside a relatively large bulk band gap. However, the effect of two-dimensional topological insulator Bi bilayers on the properties of Bi2Se3 and vice versa, has not been explored much. Bi bilayers are often present between the quintuple layers of Bi2Se3, since (Bi2)n(Bi2Se3)m form stable ground-state structures. Moreover, Bi2Se3 is a good substrate for growing ultrathin Bi bilayers. By first-principles techniques, we first show that there is no preferable surface termination by either Bi or Se. Next, we investigate the electronic structure of Bi bilayers on top of, or inside a Bi2Se3 slab. If the Bi bilayers are on top, we observe a charge transfer to the quintuple layers that increases the binding energy of the surface Dirac cones. The extra states, originating from the Bi bilayers, were declared to form a topological Dirac cone, but here we show that these are ordinary Rashba-split states. This result, together with the appearance of a new Dirac cone that is localized slightly deeper, might necessitate the reinterpretation of several experimental results. When the Bi bilayers are located inside the Bi2Se3 slab, they tend to split the slab into two topological insulators with clear surface states. Interface states can also be observed, but an energy gap persists because of strong coupling between the neighboring quintuple layers and the Bi bilayers.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000343773200001 Publication Date 2014-10-20
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 30 Open Access
Notes ; We gratefully acknowledge financial support from the Research Foundation – Flanders (FWO-Vlaanderen). K.G. thanks the University of Antwerp for a Ph.D. fellowship. C.D.B. is an aspirant of the Flemish Science Foundation. This work was carried out using the HPC infrastructure at the University of Antwerp (CalcUA), a division of the Flemish Supercomputer Center VSC, supported financially by the Hercules Foundation and the Flemish Government (EWI Department). K.P. was supported by U.S. National Science Foundation Grant No. DMR-1206354. ; Approved Most recent IF: 3.836; 2014 IF: 3.736
Call Number UA @ lucian @ c:irua:119527 Serial 800
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Author Dixit, H.; Tandon, N.; Cottenier, S.; Saniz, R.; Lamoen, D.; Partoens, B.
Title Erratum : First-principles study of possible shallow donors in ZnAl2O4 spinel [Phys. Rev. B 87, 174101 (2013)] Type A1 Journal article
Year 2013 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 88 Issue 5 Pages 059905-2
Keywords (up) A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000323572600009 Publication Date 2013-08-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 1 Open Access
Notes ; ; Approved Most recent IF: 3.836; 2013 IF: 3.664
Call Number UA @ lucian @ c:irua:110015 Serial 1080
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Author Dixit, H.; Tandon, N.; Cottenier, S.; Saniz, R.; Lamoen, D.; Partoens, B.
Title First-principles study of possible shallow donors in ZnAl2O4 spinel Type A1 Journal article
Year 2013 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 87 Issue 17 Pages 174101-174107
Keywords (up) A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
Abstract ZnAl2O4 (gahnite) is a ceramic which is considered a possible transparent conducting oxide (TCO) due to its wide band gap and transparency for UV. Defects play an important role in controlling the conductivity of a TCO material along with the dopant, which is the main source of conductivity in an otherwise insulating oxide. A comprehensive first-principles density functional theory study for point defects in ZnAl2O4 spinel is presented using the Heyd, Scuseria, and Ernzerhof hybrid functional (HSE06) to overcome the band gap problem. We have investigated the formation energies of intrinsic defects which include the Zn, Al, and O vacancy and the antisite defects: Zn at the Al site (ZnAl) and Al at the Zn site (AlZn). The antisite defect AlZn has the lowest formation energy and acts as a shallow donor, indicating possible n-type conductivity in ZnAl2O4 spinel by Al doping.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000318653300001 Publication Date 2013-05-08
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 50 Open Access
Notes Iwt; Fwo Approved Most recent IF: 3.836; 2013 IF: 3.664
Call Number UA @ lucian @ c:irua:108769 Serial 1219
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