toggle visibility
Search within Results:
Display Options:

Select All    Deselect All
 |   | 
Details
   print
  Records Links
Author Lebedev, O.I.; Van Tendeloo, G.; Abakumov, A.M.; Amelinckx, S.; Leibold, B.; Habermeier, H.-U. pdf  doi
openurl 
  Title A study of the domain structure of epitaxial (La-Ca)MnO3 films by high-resolution transmission electron microscopy Type A1 Journal article
  Year 1999 Publication Philosophical magazine: A: physics of condensed matter: defects and mechanical properties Abbreviated Journal Philos Mag A  
  Volume 79 Issue Pages 1461-1478  
  Keywords (up) A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos 000080687900013 Publication Date 2007-07-08  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0141-8610;1460-6992; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited 27 Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:29713 Serial 3335  
Permanent link to this record
 

 
Author Lebedev, O.I.; Van Tendeloo, G.; Licci, F.; Gilioli, E.; Gauzzi, A.; Prodi, A.; Marezio, M. doi  openurl
  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  
Permanent link to this record
 

 
Author Zelaya, E.; Tolley, A.; Condo, A.M.; Schumacher, G. pdf  doi
openurl 
  Title Swift heavy ion irradiation of Cu-Zn-Al and Cu-Al-Ni alloys Type A1 Journal article
  Year 2009 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat  
  Volume 21 Issue 18 Pages 185009-185009,8  
  Keywords (up) A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract The effects produced by swift heavy ions in the martensitic (18R) and austenitic phase (beta) of Cu based shape memory alloys were characterized. Single crystal samples with a surface normal close to [210](18R) and [001](beta) were irradiated with 200 MeV of Kr(15+), 230 MeV of Xe(15+), 350 and 600 MeV of Au(26+) and Au(29+). Changes in the microstructure were studied with transmission electron microscopy (TEM) and high resolution transmission electron microscopy (HRTEM). It was found that swift heavy ion irradiation induced nanometer sized defects in the 18R martensitic phase. In contrast, a hexagonal close-packed phase formed on the irradiated surface of beta phase samples. HRTEM images of the nanometer sized defects observed in the 18R martensitic phase were compared with computer simulated images in order to interpret the origin of the observed contrast. The best agreement was obtained when the defects were assumed to consist of local composition modulations.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos 000264934400014 Publication Date 2009-03-25  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0953-8984;1361-648X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.649 Times cited 8 Open Access  
  Notes Approved Most recent IF: 2.649; 2009 IF: 1.964  
  Call Number UA @ lucian @ c:irua:94551 Serial 3399  
Permanent link to this record
 

 
Author Titantah, J.T.; Lamoen, D. doi  openurl
  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 Willems, B.L.; Taylor, D.M.J.; Fritzsche, J.; Malfait, M.; Vanacken, J.; Moshchalkov, V.V.; Montoya, E.; Van Tendeloo, G. doi  openurl
  Title Temperature and magnetic field dependence of the voltagein GaAs films with superconducting Ga grains Type A1 Journal article
  Year 2008 Publication European physical journal : B : condensed matter and complex systems Abbreviated Journal Eur Phys J B  
  Volume 66 Issue 1 Pages 25-28  
  Keywords (up) A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract We have studied granular films consisting of nanoscale Ga droplets formed on GaAs films via a method of vacuum annealing to promote As evaporation. For temperatures and magnetic fields below the bulk Ga critical parameters, the samples are very sensitive towards external microwave radiation when two point voltage measurements are performed. Together with the observation of an oscillating magnetic field dependence of the voltage, a scenario in which the samples consist of Josephson-coupled loops seems to be the most likely one for explaining the obtained results.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Berlin Editor  
  Language Wos 000262831300004 Publication Date 2008-10-11  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1434-6028;1434-6036; ISBN Additional Links UA library record; WoS full record  
  Impact Factor 1.461 Times cited Open Access  
  Notes Approved Most recent IF: 1.461; 2008 IF: 1.568  
  Call Number UA @ lucian @ c:irua:75997 Serial 3496  
Permanent link to this record
 

 
Author Titantah, J.T.; Lamoen, D.; Schowalter, M.; Rosenauer, A. doi  openurl
  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  
Permanent link to this record
 

 
Author Milants, K.; Hendrickx, P.; Verheyden, J.; Barancira, T.; Deweerd, W.; Pattyn, H.; Bukshpan, S.; Vermeiren, F.; Van Tendeloo, G. openurl 
  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. url  doi
openurl 
  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. url  doi
openurl 
  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 Pauwels, B.; Van Tendeloo, G.; Zhurkin, E.; Hou, M.; Verschoren, G.; Kuhn, L.T.; Bouwen, W.; Lievens, P. doi  openurl
  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 Zhang, Z.; Geng, W.; van Landuyt, J.; Van Tendeloo, G. openurl 
  Title A transmission electron microscopy study of tweed-like structures in Al62Cu17.5CO17.5Si3 decagonal quasicrystals Type A1 Journal article
  Year 1995 Publication Philosophical magazine: A: physics of condensed matter: defects and mechanical properties Abbreviated Journal  
  Volume 71 Issue 5 Pages 1177-1189  
  Keywords (up) A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos A1995QW79500016 Publication Date 0000-00-00  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0141-8610; 1364-2804 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited 7 Open Access  
  Notes Approved no  
  Call Number UA @ lucian @ c:irua:13296 Serial 3721  
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. url  doi
openurl 
  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. url  doi
openurl 
  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  
Permanent link to this record
 

 
Author Juchtmans, R.; Verbeeck, J. url  doi
openurl 
  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 Liu, Y.; Claes, N.; Trepka, B.; Bals, S.; Lang, P.R. pdf  url
doi  openurl
  Title A combined 3D and 2D light scattering study on aqueous colloidal model systems with tunable interactions Type A1 Journal article
  Year 2016 Publication Soft matter Abbreviated Journal Soft Matter  
  Volume 12 Issue 12 Pages 8485-8494  
  Keywords (up) A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract In this article we report on the synthesis and characterization of a system of colloidal spheres suspended in an aqueous solvent which can be refractive index-matched, thus allowing for investigations of the particle near-wall dynamics by evanescent wave dynamic light scattering at concentrations up to the isotropic to ordered transition and beyond. The particles are synthesized by copolymerization of a fluorinated acrylic ester monomer with a polyethylene-glycol (PEG) oligomer by surfactant free emulsion polymerization. Static and dynamic light scattering experiments in combination with cryo transmission electron microscopy reveal that the particles have a core shell structure with a significant enrichment of the PEG chains on the particles surface. In index-matching DMSO/water suspensions the particles arrange in an ordered phase at volume fraction above 7%, if no additional electrolyte is present. The near-wall dynamics at low volume fraction are quantitatively described by the combination of electrostatic repulsion and hydrodynamic interaction between the particles and the wall. At volume fractions close to the isotropic to ordered transition, the near-wall dynamics are more complex and qualitatively reminiscent of the behaviour which was observed in hard sphere suspensions at high concentrations.  
  Address Forschugszentrum Julich, Institute of Complex Systems ICS-3, Julich, Germany. p.lang@fz-juelich.de and Heinrich-Heine Universitat, Dusseldorf, Germany  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language English Wos 000386247100004 Publication Date 2016-08-22  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1744-683X ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.889 Times cited 2 Open Access OpenAccess  
  Notes The authors thank Prof. J. K. G. Dhont and the ICS-3 group for useful discussions and support. YL would like to thank the Marie Sklodowska Curie Initial Training Network SOMATAI under the EU Grant Agreement No. 316866 for financial support. BT contributed to this work during an internship at Forschungszentrum Ju¨lich supported by the International Helmholtz Research School of Biophysics and Soft Matter (IHRS BioSoft), which is gratefully acknowledged. SB and NC acknowledge financial support from the European Research Council (ERC Starting Grant No. 335078-COLOURATOMS).; ECAS_Sara; (ROMEO:yellow; preprint:; postprint:restricted ; pdfversion:cannot); Approved Most recent IF: 3.889  
  Call Number EMAT @ emat @ c:irua:136166 Serial 4292  
Permanent link to this record
 

 
Author Wang, J.; Shin, Y.; Gauquelin, N.; Yang, Y.; Lee, C.; Jannis, D.; Verbeeck, J.; Rondinelli, J.M.; May, S.J. url  doi
openurl 
  Title Physical properties of epitaxial SrMnO2.5−δFγoxyfluoride films Type A1 Journal article
  Year 2019 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat  
  Volume 31 Issue 36 Pages 365602  
  Keywords (up) A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Recently, topotactic fluorination has become an alternative way of doping epitaxial perovskite oxides through anion substitution to engineer their electronic properties instead of the more commonly used cation substitution. In this work, epitaxial oxyfluoride SrMnO2.5−δ F γ films were synthesized via topotactic fluorination of SrMnO2.5 films using polytetrafluoroethylene as the fluorine source. Oxidized SrMnO3 films were also prepared for comparison with the fluorinated samples. The F content, probed by x-ray photoemission spectroscopy, was systematically controlled by adjusting fluorination conditions. Electronic transport measurements reveal that increased F content (up to γ  =  0.14) systematically increases the electrical resistivity, despite the nominal electron-doping induced by F substitution for O in these films. In contrast, oxidized SrMnO3 exhibits a decreased resistivity and conduction activation energy. A blue-shift of optical absorption features occurs with increasing F content. Density functional theory calculations indicate that F acts as a scattering center for electronic transport, controls the observed weak ferromagnetic behavior of the films, and reduces the inter-band optical transitions in the manganite films. These results stand in contrast to bulk electron-doped La1−x Ce x MnO3, illustrating how aliovalent anionic substitutions can yield physical behavior distinct from A-site substituted perovskites with the same nominal B-site oxidation states.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000472232000002 Publication Date 2019-09-11  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0953-8984 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.649 Times cited 5 Open Access  
  Notes Work at Drexel was supported by the National Science Foundation (NSF), grant number CMMI-1562223. Thin film synthesis utilized deposition instrumentation acquired through an Army Research Office DURIP grant (W911NF-14-1-0493). Y.S and J.M.R. were supported by NSF (Grant No. DMR-1454688). Calculations were performed using the QUEST HPC Facility at Northwestern, the Extreme Science and Engineering Discovery Environment (XSEDE), which is supported by NSF Grant No. ACI-1053575, and the Center for Nanoscale Materials (Carbon Cluster). Use of the Center for Nanoscale Materials, an Office of Science user facility, was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. J.V. and N. G. acknowledge funding from a GOA project “Solarpaint” of the University of Antwerp. D.J. acknowledges funding from FWO project G093417N from the Flemish fund for scientific research. Approved Most recent IF: 2.649  
  Call Number EMAT @ emat @UA @ admin @ c:irua:161174 Serial 5293  
Permanent link to this record
 

 
Author Lebedev, N.; Stehno, M.; Rana, A.; Gauquelin, N.; Verbeeck, J.; Brinkman, A.; Aarts, J. url  doi
openurl 
  Title Inhomogeneous superconductivity and quasilinear magnetoresistance at amorphous LaTiO₃/SrTiO₃ interfaces Type A1 Journal article
  Year 2020 Publication Journal Of Physics-Condensed Matter Abbreviated Journal J Phys-Condens Mat  
  Volume 33 Issue 5 Pages 055001  
  Keywords (up) A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract We have studied the transport properties of LaTiO3/SrTiO3 (LTO/STO) heterostructures. In spite of 2D growth observed in reflection high energy electron diffraction, transmission electron microscopy images revealed that the samples tend to amorphize. Still, we observe that the structures are conducting, and some of them exhibit high conductance and/or superconductivity. We established that conductivity arises mainly on the STO side of the interface, and shows all the signs of the two-dimensional electron gas usually observed at interfaces between STO and LTO or LaAlO3, including the presence of two electron bands and tunability with a gate voltage. Analysis of magnetoresistance (MR) and superconductivity indicates the presence of spatial fluctuations of the electronic properties in our samples. That can explain the observed quasilinear out-of-plane MR, as well as various features of the in-plane MR and the observed superconductivity.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000588209300001 Publication Date 2020-10-14  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0953-8984 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.7 Times cited 1 Open Access OpenAccess  
  Notes ; NL and JA gratefully acknowledge the financial support of the research program DESCO, which is financed by the Netherlands Organisation for Scientific Research (NWO). The authors thank J Jobst, S Smink, K Lahabi and G Koster for useful discussion. ; Approved Most recent IF: 2.7; 2020 IF: 2.649  
  Call Number UA @ admin @ c:irua:173679 Serial 6545  
Permanent link to this record
 

 
Author Sun, M.-H.; Zhou, J.; Hu, Z.-Y.; Chen, L.-H.; Li, L.-Y.; Wang, Y.-D.; Xie, Z.-K.; Turner, S.; Van Tendeloo, G.; Hasan, T.; Su, B.-L. pdf  url
doi  openurl
  Title Hierarchical zeolite single-crystal reactor for excellent catalytic efficiency Type A1 Journal article
  Year 2020 Publication Matter Abbreviated Journal  
  Volume 3 Issue 4 Pages 1226-1245  
  Keywords (up) A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract As a size- and shape-selective catalyst, zeolites are widely used in petroleum and fine-chemicals processing. However, their small micropores severely hinder molecular diffusion and are sensitive to coke formation. Hierarchically porous zeolite single crystals with fully interconnected, ordered, and tunable multimodal porosity at macro-, meso-, and microlength scale, like in leaves, offer the ideal solution. However, their synthesis remains highly challenging. Here, we report a versatile confined zeolite crystallization process to achieve these superior properties. Such zeolite single crystals lead to significantly improved mass transport properties by shortening the diffusion length while maintaining shape-selective properties, endowing them with a high efficiency of zeolite crystals, enhanced catalytic activities and lifetime, highly reduced coke formation, and reduced deactivation rate in bulky-molecule reactions and methanol-to-olefins process. Their industrial utilization can lead to the design of innovative and intensified reactors and processes with highly enhanced efficiency and minimum energy consumption.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000581132600021 Publication Date 2020-08-12  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited Open Access OpenAccess  
  Notes Approved Most recent IF: NA  
  Call Number UA @ admin @ c:irua:174329 Serial 6727  
Permanent link to this record
 

 
Author Martin, É.; Gossuin, Y.; Bals, S.; Kavak, S.; Vuong, Q.L. pdf  url
doi  openurl
  Title Monte Carlo simulations of the magnetic behaviour of iron oxide nanoparticle ensembles: taking size dispersion, particle anisotropy, and dipolar interactions into account Type A1 Journal article
  Year 2022 Publication European physical journal : B : condensed matter and complex systems Abbreviated Journal Eur Phys J B  
  Volume 95 Issue 12 Pages 201  
  Keywords (up) A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract In this work, the magnetic properties of superparamagnetic iron oxide nanoparticles (SPIONs) submitted to an external magnetic field are studied using a Metropolis algorithm. The influence on the M(B) curves of the size distribution of the nanoparticles, of uniaxial anisotropy, and of dipolar interaction between the cores are examined, as well as the influence of drying the samples under a zero or non-zero magnetic field. It is shown that the anisotropy impacts the shape of the magnetization curves, which then deviate from a pure Langevin behaviour, whereas the dipolar interaction has no influence on the curves at 300 K for small particles (with a radius of 3 nm). The fitting of the magnetization curves of particles with magnetic anisotropy to a Langevin model (including a size distribution of the particles) can then lead to erroneous values of the distribution parameters. The simulation results are qualitatively compared to experimental results obtained for iron oxide nanoparticles (with a 3.21 nm median radius).  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000901937400001 Publication Date 2022-12-21  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1434-6028 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 1.6 Times cited Open Access OpenAccess  
  Notes The authors would like to thank Sophie Laurent from the University of Mons for the access to the Dynamic Light Scattering equipment. Computational resources have been provided by the Consortium des Equipements de Calcul Intensif (C ´ ECI), funded by the ´ Fonds de la Recherche Scientifique de Belgique (F.R.S.- FNRS) under Grant No. 2.5020.11 and by the Walloon Region. Approved Most recent IF: 1.6  
  Call Number EMAT @ emat @c:irua:192706 Serial 7232  
Permanent link to this record
 

 
Author Matsubara, M.; Amini, M.N.; Saniz, R.; Lamoen, D.; Partoens, B. url  doi
openurl 
  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.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000310131300008 Publication Date 2012-10-22  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 7 Open Access  
  Notes Iwt; Fwo; Bof-Noi Approved Most recent IF: 3.836; 2012 IF: 3.767  
  Call Number UA @ lucian @ c:irua:101780 Serial 202  
Permanent link to this record
 

 
Author Govaerts, K.; Park, K.; De Beule, C.; Partoens, B.; Lamoen, D. url  doi
openurl 
  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.  
  Address  
  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  
Permanent link to this record
 

 
Author Dixit, H.; Saniz, R.; Cottenier, S.; Lamoen, D.; Partoens, B. pdf  doi
openurl 
  Title Electronic structure of transparent oxides with the Tran-Blaha modified Becke-Johnson potential Type A1 Journal article
  Year 2012 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat  
  Volume 24 Issue 20 Pages 205503-205503,9  
  Keywords (up) A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)  
  Abstract We present electronic band structures of transparent oxides calculated using the Tran-Blaha modified Becke-Johnson (TB-mBJ) potential. We studied the basic n-type conducting binary oxides In2O3, ZnO, CdO and SnO2 along with the p-type conducting ternary oxides delafossite CuXO2 (X = Al, Ga, In) and spinel ZnX2O4 (X = Co, Rh, Ir). The results are presented for calculated band gaps and effective electron masses. We discuss the improvements in the band gap determination using TB-mBJ compared to the standard generalized gradient approximation (GGA) in density functional theory (DFT) and also compare the electronic band structure with available results from the quasiparticle GW method. It is shown that the calculated band gaps compare well with the experimental and GW results, although the electron effective mass is generally overestimated.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos 000303507100009 Publication Date 2012-04-27  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0953-8984;1361-648X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.649 Times cited 113 Open Access  
  Notes Iwt; Fwo Approved Most recent IF: 2.649; 2012 IF: 2.355  
  Call Number UA @ lucian @ c:irua:98222 Serial 1017  
Permanent link to this record
 

 
Author Dixit, H.; Tandon, N.; Cottenier, S.; Saniz, R.; Lamoen, D.; Partoens, B. url  doi
openurl 
  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  
Permanent link to this record
 

 
Author Dixit, H.; Tandon, N.; Cottenier, S.; Saniz, R.; Lamoen, D.; Partoens, B. url  doi
openurl 
  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.  
  Address  
  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  
Permanent link to this record
 

 
Author Govaerts, K.; Sluiter, M.H.F.; Partoens, B.; Lamoen, D. url  doi
openurl 
  Title Homologous series of layered structures in binary and ternary Bi-Sb-Te-Se systems : ab initio study Type A1 Journal article
  Year 2014 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 89 Issue 5 Pages 054106-54109  
  Keywords (up) A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)  
  Abstract In order to account explicitly for the existence of long-periodic layered structures and the strong structural relaxations in the most common binary and ternary alloys of the Bi-Sb-Te-Se system, we have developed a one-dimensional cluster expansion (CE) based on first-principles electronic structure calculations, which accounts for the Bi and Sb bilayer formation. Excellent interlayer distances are obtained with a van der Waals density functional. It is shown that a CE solely based on pair interactions is sufficient to provide an accurate description of the ground-state energies of Bi-Sb-Te-Se binary and ternary systems without making the data set of ab initio calculated structures unreasonably large. For the binary alloys A1−xQx (A=Sb, Bi; Q=Te, Se), a ternary CE yields an almost continuous series of (meta)stable structures consisting of consecutive A bilayers next to consecutive A2Q3 for 0<x<0.6. For x>0.6, the binary alloy segregates into pure Q and A2Q3. The Bi-Sb system is described by a quaternary CE and is found to be an ideal solid solution stabilized by entropic effects at T≠0 K but with an ordered structure of alternating Bi and Sb layers for x=0.5 at T=0 K. A quintuple CE is used for the ternary Bi-Sb-Te system, where stable ternary layered compounds with an arbitrary stacking of Sb2Te3, Bi2Te3, and Te-Bi-Te-Sb-Te quintuple units are found, optionally separated by mixed Bi/Sb bilayers. Electronic properties of the stable compounds were studied taking spin-orbit coupling into account.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000332420900001 Publication Date 2014-03-05  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 5 Open Access  
  Notes Fwo; Hercules Approved Most recent IF: 3.836; 2014 IF: 3.736  
  Call Number UA @ lucian @ c:irua:114910 Serial 1487  
Permanent link to this record
 

 
Author Sarmadian, N.; Saniz, R.; Lamoen, D.; Partoens, B. url  doi
openurl 
  Title Influence of Al concentration on the optoelectronic properties of Al-doped MgO Type A1 Journal article
  Year 2012 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 86 Issue 20 Pages 205129-5  
  Keywords (up) A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)  
  Abstract We use density functional theory within the local density approximation to investigate the structural, electronic, and optical properties of Al-doped MgO. The concentrations considered range from 6% to 56%. In the latter case, we also compare the optical properties of the amorphous and crystalline phases. We find that, overall, the electronic properties of the crystalline phases change qualitatively little with Al concentration. On the other hand, the changes in the electronic structure in the amorphous phase are more important, most notably because of deep impurity levels in the band gap that are absent in the crystalline phase. This leads to observable effects in, e.g., the optical absorption edge and in the refractive index. Thus, the latter can be used to characterize the crystalline to amorphous transition with Al doping level.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000311605000003 Publication Date 2012-11-28  
  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 5 Open Access  
  Notes Iwt; Fwo Approved Most recent IF: 3.836; 2012 IF: 3.767  
  Call Number UA @ lucian @ c:irua:105137 Serial 1612  
Permanent link to this record
 

 
Author Lobato, I.; Partoens, B. url  doi
openurl 
  Title Multiple Dirac particles in AA-stacked graphite and multilayers of graphene Type A1 Journal article
  Year 2011 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 83 Issue 16 Pages 165429-165429,9  
  Keywords (up) A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)  
  Abstract Using the tight-binding formalism we show that in the recently experimentally realized AA-stacked graphite in essence two types of massless relativistic Dirac particles are present with a different effective speed of light. We also investigate how the electronic structure evolves from a single graphene sheet into AA-stacked graphite. It is shown that in contrast to AB-stacked graphene layers, the spectrum of AA-stacked graphene layers can be considered as a superposition of single-layer spectra and only particles with a linear spectrum at the Fermi energy around the K point are present. From the evolution of the band overlap we show that 6 multilayers of AA-stacked graphene already behave as AA-stacked graphite. The evolution of the effective speeds of light of the Dirac particles to their bulk values shows exactly the same behavior. The tight-binding parameters we use to describe AA-stacked graphite and multilayers of graphene are obtained by ab initio calculations.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000290113900005 Publication Date 2011-04-21  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 68 Open Access  
  Notes ; ; Approved Most recent IF: 3.836; 2011 IF: 3.691  
  Call Number UA @ lucian @ c:irua:89717 Serial 2225  
Permanent link to this record
 

 
Author Shanenko, A.A.; Croitoru, M.D.; Peeters, F.M. url  doi
openurl 
  Title Oscillations of the superconducting temperature induced by quantum well states in thin metallic films: numerical solution of the Bogoliubov-de Gennes equations Type A1 Journal article
  Year 2007 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 75 Issue 1 Pages 014519,1-9  
  Keywords (up) A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Lancaster, Pa Editor  
  Language Wos 000243894600126 Publication Date 2007-01-17  
  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 85 Open Access  
  Notes Fwo-Vi; Bof-Top; Iap Approved Most recent IF: 3.836; 2007 IF: 3.172  
  Call Number UA @ lucian @ c:irua:63749 Serial 2535  
Permanent link to this record
 

 
Author Dixit, H.; Lamoen, D.; Partoens, B. pdf  doi
openurl 
  Title Quasiparticle band structure of rocksalt-CdO determined using maximally localized Wannier functions Type A1 Journal article
  Year 2013 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat  
  Volume 25 Issue 3 Pages 035501-35505  
  Keywords (up) A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)  
  Abstract CdO in the rocksalt structure is an indirect band gap semiconductor. Thus, in order to determine its band gap one needs to calculate the complete band structure. However, in practice, the exact evaluation of the quasiparticle band structure for the large number of k-points which constitute the different symmetry lines in the Brillouin zone can be an extremely demanding task compared to the standard density functional theory (DFT) calculation. In this paper we report the full quasiparticle band structure of CdO using a plane-wave pseudopotential approach. In order to reduce the computational effort and time, we make use of maximally localized Wannier functions (MLWFs). The MLWFs offer a highly accurate method for interpolation of the DFT or GW band structure from a coarse k-point mesh in the irreducible Brillouin zone, resulting in a much reduced computational effort. The present paper discusses the technical details of the scheme along with the results obtained for the quasiparticle band gap and the electron effective mass.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos 000313100500010 Publication Date 2012-12-12  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0953-8984;1361-648X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.649 Times cited 7 Open Access  
  Notes Fwo Approved Most recent IF: 2.649; 2013 IF: 2.223  
  Call Number UA @ lucian @ c:irua:105296 Serial 2801  
Permanent link to this record
 

 
Author Dixit, H.; Saniz, R.; Lamoen, D.; Partoens, B. pdf  doi
openurl 
  Title The quasiparticle band structure of zincblende and rocksalt ZnO Type A1 Journal article
  Year 2010 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat  
  Volume 22 Issue 12 Pages 125505,1-125505,7  
  Keywords (up) A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)  
  Abstract We present the quasiparticle band structure of ZnO in its zincblende (ZB) and rocksalt (RS) phases at the Γ point, calculated within the GW approximation. The effect of the pd hybridization on the quasiparticle corrections to the band gap is discussed. We compare three systems, ZB-ZnO which shows strong pd hybridization and has a direct band gap, RS-ZnO which is also hybridized but includes inversion symmetry and therefore has an indirect band gap, and ZB-ZnS which shows a weaker hybridization due to a change of the chemical species from oxygen to sulfur. The quasiparticle corrections are calculated with different numbers of valence electrons in the Zn pseudopotential. We find that the Zn20 + pseudopotential is essential for the adequate treatment of the exchange interaction in the self-energy. The calculated GW band gaps are 2.47 eV and 4.27 eV respectively, for the ZB and RS phases. The ZB-ZnO band gap is underestimated compared to the experimental value of 3.27 by ~ 0.8 eV. The RS-ZnO band gap compares well with the experimental value of 4.5 eV. The underestimation for ZB-ZnO is correlated with the strong pd hybridization. The GW band gap for ZnS is 3.57 eV, compared to the experimental value of 3.8 eV.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos 000275496600010 Publication Date 2010-03-13  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0953-8984;1361-648X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.649 Times cited 53 Open Access  
  Notes Iwt; Fwo; Bof-Nio Approved Most recent IF: 2.649; 2010 IF: 2.332  
  Call Number UA @ lucian @ c:irua:81531 Serial 2802  
Permanent link to this record
Select All    Deselect All
 |   | 
Details
   print

Save Citations:
Export Records: