Electronic structures and optical proper
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Wen Lai Huang
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Article
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2009
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John Wiley and Sons
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English
โ 606 KB
## Abstract Based on the density functional theory (DFT), the lattice constants and atomic positions of BiOX (X = F, Cl, Br, I) species have been optimized, and the electronic and optical properties of the relaxed species have been calculated, with Bi 5d states considered or not. Relaxation general