Studies of the electronic and optical pr
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Wen Gu; Song-You Wang; Ming Xu; Yue-Rui Chen; Liang-Yao Chen; Yu Jia
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Article
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2009
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Elsevier Science
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English
โ 386 KB
The electronic and optical properties of BaM x O 1รx (M = S, Se, Te) have been studied by using the density functional theory implemented with the GGA-PW91 method. The calculated results show that the lattice constant of BaM x O 1รx obeys the Vegard model while the energy gap of BaM x O 1รx shows a