In this paper we present the calculated electronic structures and associated properties of a green phosphor, Gd2O2S : Tb3+ and compare with experiment. Calculations are performed using the spin polarized relativistic version of the self-consistent field XY scattered wave molecular orbital cluster method and the augmented spherical wave band structure supercell method. The band structures and the associated energy level diagrams of this phosphor will be used to study the luminescence mechanism of Gd2O2S : Tb3+ and to interpret its optical, photoconductivity and XPS spectra. (C) 2000 Elsevier Science B.V. All rights reserved.
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Sao Paulo State Univ, UNESP, Inst Chem, LML, BR-14800900 Araraquara, SP, BrazilSao Paulo State Univ, UNESP, Inst Chem, LML, BR-14800900 Araraquara, SP, Brazil
da Silva, Alison Abreu
Cebim, Marco Aurelio
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Sao Paulo State Univ, UNESP, Inst Chem, LML, BR-14800900 Araraquara, SP, BrazilSao Paulo State Univ, UNESP, Inst Chem, LML, BR-14800900 Araraquara, SP, Brazil
Cebim, Marco Aurelio
Davolos, Marian Rosaly
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Sao Paulo State Univ, UNESP, Inst Chem, LML, BR-14800900 Araraquara, SP, BrazilSao Paulo State Univ, UNESP, Inst Chem, LML, BR-14800900 Araraquara, SP, Brazil
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China Univ Geosci, Sch Mat Sci & Technol, Beijing 100083, Peoples R ChinaChina Univ Geosci, Sch Mat Sci & Technol, Beijing 100083, Peoples R China
He, Can
Xia, Zhiguo
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China Univ Geosci, Sch Mat Sci & Technol, Beijing 100083, Peoples R China
Univ Sci & Technol Beijing, Sch Mat Sci & Engn, Beijing 100083, Peoples R ChinaChina Univ Geosci, Sch Mat Sci & Technol, Beijing 100083, Peoples R China
Xia, Zhiguo
Liu, Quanlin
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Univ Sci & Technol Beijing, Sch Mat Sci & Engn, Beijing 100083, Peoples R ChinaChina Univ Geosci, Sch Mat Sci & Technol, Beijing 100083, Peoples R China