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http://acervodigital.unesp.br/handle/11449/40330
- Title:
- A theoretical study on the photoluminescence of SrTiO3
- Univ Jaume 1
- Universidade Estadual Paulista (UNESP)
- 0009-2614
- Spanish MALTA-Consolider Ingenio 2010 Program
- Bancaixa Foundation
- Spanish-Brazilian Program
- Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)
- Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)
- Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)
- Spanish MALTA-Consolider Ingenio 2010 Program: CSD2007-00045
- Bancaixa Foundation: P11B2009-08
- Spanish-Brazilian Program: PHB2009-0065-PC
- This Letter deals with the assignment of photoluminescence (PL) emission spectra of SrTiO3. Ideal and distorted structures of SrTiO3 model systems have been selected to localize and characterize at DFT calculation level both ground (singlet) and excited (triplet and singlet) electronic states. This study provides clear evidence of the role carried out by stable electronically excited states, and their relationship with order-disorder effects as a key component of the PL behaviour. (C) 2010 Elsevier B. V. All rights reserved.
- 17-Jun-2010
- Chemical Physics Letters. Amsterdam: Elsevier B.V., v. 493, n. 1-3, p. 141-146, 2010.
- 141-146
- Elsevier B.V.
- http://dx.doi.org/10.1016/j.cplett.2010.05.041
- Acesso restrito
- outro
- http://repositorio.unesp.br/handle/11449/40330
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