Ma, Lan and Xia, Zhiguo and Atuchin, Victor and Molokeev, Maxim and Auluck, S. and Reshak, A. H. and Liu, Quanlin (2015) Engineering oxygen vacancies towards self-activated BaLuAlxZn4-xO7-(1-x)/2 photoluminescent materials: an experimental and theoretical analysis. Physical Chemistry Chemical Physics, 17 (46). 31188-31194 . ISSN 1463-9076

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Novel self-activated yellow-emitting BaLuAlxZn4-xO7-(1-x)/2 photoluminescent materials were investigated by a combined experimental and theoretical analysis. The effects of Al/Zn composition modulation, calcination atmosphere and temperature on the crystal structure and photoluminescence properties have been studied via engineering oxygen vacancies. Accordingly, BaLuAl0.91Zn3.09O7 prepared in an air atmosphere was found to be the stable crystalline phase with optimal oxygen content and gave a broad yellow emission band with a maximum at 528 nm. The self-activated luminescence mechanism is ascribed to the O-vacancies based on the density functional theory (DFT) calculation. A theoretical model originating from the designed oxygen vacancies has been proposed in order to determine the influence of O-vacancies on the band structure and self-activated luminescence. Therefore, the appearance of a new local energy level in the band gap will cause the wide-band optical transitions in the studied BaLuAlxZn4-xO7-(1-x)/2 materials.

Item Type: Article
Subjects: Chemistry > Physical Chemistry
Physics > Atomic and Molecular Physics
Depositing User: Dr. Rajpal Walke
Date Deposited: 22 Sep 2016 06:56
Last Modified: 22 Sep 2016 06:56

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