Room-temperature photoluminescence of BaTiO3: Joint experimental and theoretical study
Carregando...
Data
2005-02-01
Orientador
Coorientador
Pós-graduação
Curso de graduação
Título da Revista
ISSN da Revista
Título de Volume
Editor
Amer Physical Soc
Tipo
Artigo
Direito de acesso
Acesso restrito
Resumo
Strong photoluminescent emission has been measured at room temperature for noncrystalline BaT'O-3 (BT) perovskite powders. A joint experimental and theoretical study has been carried out to rationalize this phenomenon. From the experimental side, BT powder samples have been synthesized following a soft chemical processing, their crystal structure has been confirmed by x-ray data and the corresponding photoluminescence (PL) properties have been measured. Only the structurally disordered samples present PL at room temperature. From the theoretical side, first-principles quantum-mechanical techniques, based on density-functional theory at the B3LYP level, have been employed to study the electronic structure of crystalline (BT-c) and asymmetric (BT-a) models. Theoretical and experimental results are found to be consistent and their confrontation leads to an interpretation of the PL apparition at room temperature in the structurally disordered powders.
Descrição
Palavras-chave
Idioma
Inglês
Como citar
Physical Review B. College Pk: Amer Physical Soc, v. 71, n. 8, 7 p., 2005.
