Please use this identifier to cite or link to this item: http://dspace.utpl.edu.ec/handle/123456789/19167
Title: Large hole polarons in Sc-doped TiO2 crystals
Authors: Stashans, A.
Keywords: DFT + U
metadata.dc.date.available: 2017-06-16T22:03:04Z
Issue Date: 20-Jun-2013
Publisher: Modern Physics Letters B
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.
metadata.dc.identifier.other: 10.1142/S0217984913501133
URI: http://dspace.utpl.edu.ec/handle/123456789/19167
ISBN: 2179849
ISSN: 10.1142/S0217984913501133
Other Identifiers: 10.1142/S0217984913501133
Other Identifiers: 10.1142/S0217984913501133
metadata.dc.language: Inglés
metadata.dc.type: Article
Appears in Collections:Artículos de revistas Científicas

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