Origin of photoluminescence in SrTiO{sub 3}: a combined experimental and theoretical study

Journal Article · Mon Nov 01 00:00:00 EST 2004 · Journal of Solid State Chemistry

DOI:https://doi.org/10.1016/j.jssc.2004.07.043· OSTI ID:20658164

Orhan, Emmanuelle ^[1]; Pontes, Fenelon M ^[2]; Pinheiro, Carlos D ^[2]; Boschi, Tania M ^[3]; Leite, Edson R ^[2]; Pizani, Paulo S ^[3]; Beltran, Armando ^[4]; Andres, Juan ^[4]; Varela, Jose A ^[1]; Longo, Elson ^[2]

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1. Instituto de Quimica - Universidade Estadual Paulista, Araraquara, 14801-907 SP (Brazil)
2. Departamento de Quimica, Universidade Federal de Sao Carlos, Sao Carlos 13565-905 SP (Brazil)
3. Departamento de Fisica, Universidade Federal de Sao Carlos, Caixa Postal 676, Sao Carlos, 13565-905 SP (Brazil)
4. Departament de Ciencies Experimentals, Universitat Jaume I, PO Box 6029, AP 12080 Castello (Spain)

A joint experimental and theoretical study has been carried out to rationalize the photoluminescence properties of SrTiO{sub 3} 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.

• OSTI ID: 20658164
• Journal Information: Journal of Solid State Chemistry, Vol. 177, Issue 11; Other Information: DOI: 10.1016/j.jssc.2004.07.043; PII: S0022-4596(04)00424-4; Copyright (c) 2004 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved; Country of input: International Atomic Energy Agency (IAEA); ISSN 0022-4596
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
ASYMMETRY
DENSITY FUNCTIONAL METHOD
ELECTRONIC STRUCTURE
PEROVSKITE
PHOTOLUMINESCENCE
QUANTUM MECHANICS
STRONTIUM TITANATES
TEMPERATURE RANGE 0273-0400 K
THIN FILMS