Please use this identifier to cite or link to this item: http://dspace.utpl.edu.ec/jspui/handle/123456789/19295
Full metadata record
DC FieldValueLanguage
dc.contributor.authorStashans, A.es_ES
dc.contributor.authorVillamagua Conza, L.es_ES
dc.date.accessioned2017-06-16T22:03:18Z-
dc.date.available2008-11-13es_ES
dc.date.available2017-06-16T22:03:18Z-
dc.date.issued2009-02-01es_ES
dc.date.submitted07/12/2008es_ES
dc.identifier10.1016/j.jpcs.2008.11.020es_ES
dc.identifier.isbn223697es_ES
dc.identifier.other10.1016/j.jpcs.2008.11.020es_ES
dc.identifier.urihttp://dspace.utpl.edu.ec/handle/123456789/19295-
dc.description.abstractStructural and electronic properties produced by formation of Schottky defects in cubic structure of SrTiO3 crystal are investigated by means of a quantum-chemical simulation based on the Hartree-Fock methodology. The occurrence of Sr partial Schottky defect (VSr+VO) and two types of Ti partial Schottky defects (VTi+2VO) is modeled using a supercell containing 135 atoms. Vacancy-induced changes in the positions of their neighboring atoms are analyzed in light of the computed electron density redistribution in the defective region of supercell. The observed local one-electron energy levels in the gap between the upper valence band and the conduction band can be attributed to the presence of anion and cation vacancies. © 2008 Elsevier Ltd. All rights reserved.es_ES
dc.languageIngléses_ES
dc.subjectA. Oxideses_ES
dc.titleSchottky defects in cubic lattice of SrTiO3es_ES
dc.typeArticlees_ES
dc.publisherJournal of Physics and Chemistry of Solidses_ES
Appears in Collections:Artículos de revistas Científicas



Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.