Large hole polarons in Sc-doped TiO2 crystals

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Campo DC	Valor	Lengua/Idioma
dc.contributor.author	Stashans, A.	es_ES
dc.date.accessioned	2017-06-16T22:03:04Z	-
dc.date.available	2017-06-16T22:03:04Z	-
dc.date.issued	2013-06-20	es_ES
dc.date.submitted	01/06/2013	es_ES
dc.identifier	10.1142/S0217984913501133	es_ES
dc.identifier.isbn	2179849	es_ES
dc.identifier.issn	10.1142/S0217984913501133	es_ES
dc.identifier.other	10.1142/S0217984913501133	es_ES
dc.identifier.uri	http://dspace.utpl.edu.ec/handle/123456789/19167	-
dc.description.abstract	First-principles calculations based on the density functional theory (DFT) within the generalized gradient approximation (GGA) have been used to study Sc-doped TiO2, rutile and anatase, crystals. Local defect microstructure, electronic and electrical properties have been obtained and discussed in the present work. Large radius hole polaron state found here points out to the possibility of p-type electrical conductivity in Sc-doped titania.	es_ES
dc.language	Inglés	es_ES
dc.subject	DFT + U	es_ES
dc.title	Large hole polarons in Sc-doped TiO2 crystals	es_ES
dc.type	Article	es_ES
dc.publisher	Modern Physics Letters B	es_ES
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