Please use this identifier to cite or link to this item: http://dspace.utpl.edu.ec/handle/123456789/19275
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dc.contributor.authorBarreto, R.es_ES
dc.contributor.authorStashans, A.es_ES
dc.contributor.authorVillamagua Conza, L.es_ES
dc.contributor.authorProcel, L.es_ES
dc.date.accessioned2017-06-16T22:03:16Z-
dc.date.available2006-12-21es_ES
dc.date.available2017-06-16T22:03:16Z-
dc.date.issued2007-03-01es_ES
dc.date.submitted08/02/2007es_ES
dc.identifier10.1088/0031-8949/75/3/024es_ES
dc.identifier.isbn318949es_ES
dc.identifier.other10.1088/0031-8949/75/3/024es_ES
dc.identifier.urihttp://dspace.utpl.edu.ec/handle/123456789/19275-
dc.description.abstractThe present paper reports a computational investigation of the geometry and electronic structure as well as the migration of a hydrogen impurity in the cubic SrTiO3 crystal. The study is done using an approach based on the Hartree-Fock theory and developed for periodic systems. It is found that the H impurity forms the so-called OH group at the equilibrium. Analysis of electron density within the defective region implies the enhancement in covalent chemical bonding. A possible defect migration has been also investigated. © 2007 The Royal Swedish Academy of Sciences.es_ES
dc.languageIngléses_ES
dc.subjectsrtio3es_ES
dc.subjecthartreees_ES
dc.subjectfock methodes_ES
dc.subjecth dopantes_ES
dc.titleHydrogen impurity in SrTiO3: Structure, electronic properties and migrationes_ES
dc.typeArticlees_ES
dc.publisherPhysica Scriptaes_ES
Appears in Collections:Artículos de revistas Científicas

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