Hydrogen impurity in SrTiO3: Structure, electronic properties and migration

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Campo DC	Valor	Lengua/Idioma
dc.contributor.author	Barreto, R.	es_ES
dc.contributor.author	Stashans, A.	es_ES
dc.contributor.author	Villamagua Conza, L.	es_ES
dc.contributor.author	Procel, L.	es_ES
dc.date.accessioned	2017-06-16T22:03:16Z	-
dc.date.available	2006-12-21	es_ES
dc.date.available	2017-06-16T22:03:16Z	-
dc.date.issued	2007-03-01	es_ES
dc.date.submitted	08/02/2007	es_ES
dc.identifier	10.1088/0031-8949/75/3/024	es_ES
dc.identifier.isbn	318949	es_ES
dc.identifier.other	10.1088/0031-8949/75/3/024	es_ES
dc.identifier.uri	http://dspace.utpl.edu.ec/handle/123456789/19275	-
dc.description.abstract	The 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.language	Inglés	es_ES
dc.subject	srtio3	es_ES
dc.subject	hartree	es_ES
dc.subject	fock method	es_ES
dc.subject	h dopant	es_ES
dc.title	Hydrogen impurity in SrTiO3: Structure, electronic properties and migration	es_ES
dc.type	Article	es_ES
dc.publisher	Physica Scripta	es_ES
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