|   | 
Details
   web
Records
Author Lobato Hoyos, I.P.; van Dyck, D.
Title An accurate parameterization for scattering factors, electron densities and electrostatic potentials for neutral atoms that obey all physical constraints Type A1 Journal article
Year (down) 2014 Publication Acta crystallographica: section A: foundations of crystallography Abbreviated Journal Acta Crystallogr A
Volume 70 Issue 6 Pages 636-649
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab
Abstract An efficient procedure and computer program are outlined for fitting numerical X-ray and electron scattering factors with the correct inclusion of all physical constraints. The numerical electron scattering factors have been parameterized using five analytic non-relativistic hydrogen electron scattering factors as basis functions for 103 neutral atoms of the periodic table. The inclusion of the correct physical constraints in the electron scattering factor and its derived quantities allows the use of the new parameterization in different fields. In terms of quality of the fit, the proposed parameterization of the electron scattering factor is one order of magnitude better than the previous analytic fittings.
Address
Corporate Author Thesis
Publisher Place of Publication Copenhagen Editor
Language Wos 000344599300012 Publication Date 2014-10-16
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2053-2733; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 5.725 Times cited 19 Open Access
Notes Approved Most recent IF: 5.725; 2014 IF: NA
Call Number UA @ lucian @ c:irua:122103 Serial 93
Permanent link to this record
 

 
Author Schowalter, M.; Rosenauer, A.; Titantah, J.T.; Lamoen, D.
Title Temperature-dependent Debye-Waller factors for semiconductors with the wurtzite-type structure Type A1 Journal article
Year (down) 2009 Publication Acta crystallographica: section A: foundations of crystallography Abbreviated Journal Acta Crystallogr A
Volume 65 Issue Pages 227-231
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract We computed Debye-Waller factors in the temperature range from 0.1 to 1000 K for AlN, GaN, InN, ZnO and CdO with the wurtzite-type structure. The Debye-Waller factors were derived from phonon densities of states obtained from Hellmann-Feynman forces computed within the density-functional-theory formalism. The temperature dependences of the Debye-Waller factors were fitted and fit parameters are given.
Address
Corporate Author Thesis
Publisher Place of Publication Copenhagen Editor
Language Wos 000264927100006 Publication Date 2009-03-12
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0108-7673; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 5.725 Times cited 23 Open Access
Notes Fwo G.0425.05; Esteem 026019 Approved Most recent IF: 5.725; 2009 IF: 49.926
Call Number UA @ lucian @ c:irua:74565 Serial 3497
Permanent link to this record
 

 
Author Schowalter, M.; Rosenauer, A.; Titantah, J.T.; Lamoen, D.
Title Computation and parametrization of the temperature dependence of Debye-Waller factors for group IV, III-V and II-VI semiconductors Type A1 Journal article
Year (down) 2009 Publication Acta crystallographica: section A: foundations of crystallography Abbreviated Journal Acta Crystallogr A
Volume 65 Issue 1 Pages 5-17
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract We calculated the temperature dependence of the Debye-Waller factors for a variety of group IV, III-V and II-VI semiconductors from 0.1 to 1000 K. The approach used to fit the temperature dependence is described and resulting fit parameters are tabulated for each material. The Debye-Waller factors are deduced from generalized phonon densities of states which were derived from first principles using the WIEN2k and the ABINIT codes.
Address
Corporate Author Thesis
Publisher Place of Publication Copenhagen Editor
Language Wos 000261799500002 Publication Date 2008-11-05
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0108-7673; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 5.725 Times cited 51 Open Access
Notes Fwo G.0425.05; Esteem 026019 Approved Most recent IF: 5.725; 2009 IF: 49.926
Call Number UA @ lucian @ c:irua:72918 Serial 453
Permanent link to this record
 

 
Author Hadermann, J.; Van Tendeloo, G.; Abakumov, A.M.
Title Transmission electron microscopy and structural phase transitions in anion-deficient perovskite-based oxides Type A1 Journal article
Year (down) 2005 Publication Acta crystallographica: section A: foundations of crystallography Abbreviated Journal Acta Crystallogr A
Volume 61 Issue 1 Pages 77-92
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Copenhagen Editor
Language Wos 000225865500008 Publication Date 2004-12-22
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0108-7673; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 5.725 Times cited 18 Open Access
Notes Approved Most recent IF: 5.725; 2005 IF: 1.791
Call Number UA @ lucian @ c:irua:51442 Serial 3706
Permanent link to this record
 

 
Author Richard, O.; Schuddinck, W.; Van Tendeloo, G.; Millange, F.; Hervieu, M.; Caignaert, C.; Raveau, B.
Title Room temperature and low-temperature structure of Nd1-xCaxMnO3 (0.3*x*0.5) Type A1 Journal article
Year (down) 1999 Publication Acta crystallographica: section A: foundations of crystallography Abbreviated Journal Acta Crystallogr A
Volume 55 Issue Pages 704-718
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Copenhagen Editor
Language Wos 000081697500013 Publication Date 2002-07-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0108-7673; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 5.725 Times cited 24 Open Access
Notes Approved Most recent IF: 5.725; 1999 IF: 1.601
Call Number UA @ lucian @ c:irua:29715 Serial 2929
Permanent link to this record
 

 
Author Abakumov, A.M.; Shpanchenko, R.V.; Lebedev, O.I.; Van Tendeloo, G.; Amelinckx, S.; Antipov, E.V.
Title The phase transition and crystal structures of Ba3RM2O7.5 complex oxides (R=rare-earth elements, M = Al,Ga) Type A1 Journal article
Year (down) 1999 Publication Acta crystallographica: section A: foundations of crystallography Abbreviated Journal Acta Crystallogr A
Volume 55 Issue Pages 828-839
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Copenhagen Editor
Language Wos 000082727000006 Publication Date 2002-07-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0108-7673; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 5.725 Times cited 7 Open Access
Notes Approved Most recent IF: 5.725; 1999 IF: 1.601
Call Number UA @ lucian @ c:irua:29716 Serial 2591
Permanent link to this record
 

 
Author Michel, K.H.; Lamoen, D.; David, W.I.F.
Title Orientational order and disorder in solid C60 : theory and diffraction experiments Type A1 Journal article
Year (down) 1995 Publication Acta crystallographica: section A: foundations of crystallography Abbreviated Journal Acta Crystallogr A
Volume 51 Issue 3 Pages 365-374
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Starting from a microscope model of the intermolecular potential, a unified description is presented of the Bragg scattering law in the orientationally disordered and in the ordered phase of solid C-60. The orientational structure factor is expanded in terms of symmetry-adapted surface harmonics. The expansion coefficients are calculated from theory and compared with experiment Their temperature evolution is studied in the disordered phase at the 260 K transitions and in the ordered phase. In the ordered phase, new results from high-resolution neutron powder diffraction are given. In the disordered phase, space group Fm $($) over bar$$ 3m, the reflections have A(1g) symmetry; in the ordered phase, space group Pa $$($) over bar 3, reflections of T-2g symmetry appear and in addition the A(1g) reflections are renormalized. The orientational density distribution is calculated. The effective crystal-field potential is constructed, its temperature evolution in the ordered phase is studied and related to the occurrence of an orientational glass.
Address
Corporate Author Thesis
Publisher Place of Publication Copenhagen Editor
Language Wos A1995RB59400018 Publication Date 2002-07-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0108-7673; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.307 Times cited 14 Open Access
Notes Approved CHEMISTRY, MULTIDISCIPLINARY 65/163 Q2 # CRYSTALLOGRAPHY 10/26 Q2 #
Call Number UA @ lucian @ c:irua:12189 Serial 2518
Permanent link to this record
 

 
Author Van Tendeloo, G.; Amelinckx, S.; van Landuyt, J.
Title Graphene textures: tubules and whiskers related to fullerene crystallography Type A1 Journal article
Year (down) 1993 Publication Acta crystallographica: section A: foundations of crystallography Abbreviated Journal Acta Crystallogr A
Volume 49 Issue Pages 355
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Copenhagen Editor
Language Wos Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0108-7673 ISBN Additional Links UA library record
Impact Factor 2.307 Times cited Open Access
Notes Approved no
Call Number UA @ lucian @ c:irua:6842 Serial 1378
Permanent link to this record
 

 
Author Milat, O.; Van Tendeloo, G.; van Landuyt, J.; Amelinckx, S.
Title Superlattice variants in Sr2CuO2(CO3): an electron microscopy study Type A1 Journal article
Year (down) 1993 Publication Acta crystallographica: section A: foundations of crystallography Abbreviated Journal Acta Crystallogr A
Volume 49 Issue Pages 357
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Copenhagen Editor
Language Wos Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0108-7673 ISBN Additional Links UA library record
Impact Factor 2.307 Times cited Open Access
Notes Approved PHYSICS, APPLIED 28/145 Q1 #
Call Number UA @ lucian @ c:irua:6841 Serial 3379
Permanent link to this record
 

 
Author Krekels, T.; Van Tendeloo, G.; Amelinckx, S.; van Landuyt, J.
Title Structural effects of element substitution in the CuO plane of the 1-2-3 YBCO superconductor Type A1 Journal article
Year (down) 1993 Publication Acta crystallographica: section A: foundations of crystallography Abbreviated Journal Acta Crystallogr A
Volume 49 Issue Pages 287
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Copenhagen Editor
Language Wos A1993KR35400006 Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0108-7673 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.307 Times cited 56 Open Access
Notes Approved PHYSICS, APPLIED 28/145 Q1 #
Call Number UA @ lucian @ c:irua:6840 Serial 3233
Permanent link to this record