Artículos de revistas
Origin of photo luminescence in SrTiO3: a combined experimental and theoretical study
Fecha
2004-11-01Registro en:
Journal of Solid State Chemistry. San Diego: Academic Press Inc. Elsevier B.V., v. 177, n. 11, p. 3879-3885, 2004.
0022-4596
10.1016/j.jssc.2004.07.043
WOS:000225508800005
Autor
Universidade Estadual Paulista (Unesp)
Universidade Federal de São Carlos (UFSCar)
Univ Jaume 1
Universidade Federal da Paraíba (UFPB)
Institución
Resumen
A joint experimental and theoretical study has been carried out to rationalize the photoluminescence properties of SrTiO3 perovskite thin films synthesized through a soft chemical processing. Only the amorphous samples present photoluminescence at room temperature. From the theoretical side, first principles quantum mechanical techniques, based on density functional theory at B3LYP level, have been employed to study the electronic structure of a crystalline (ST-c) and an asymmetric (ST-a) model. Electronic properties are analyzed in the light of the experimental results and their relevance in relation to the PL behavior of ST is discussed. (C) 2004 Elsevier B.V. All rights reserved.