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Band gaps for alloys as a function of S concentration . The LDA gaps were corrected by , where and are the differences between experimental and theoretical band gaps for rutile and (space group ), respectively. The arrow indicates the absorption range for visible light.
Total and partial density of states (without band-gap corrections) for (a) , (b) , and (c) . Arrows indicate the band gap.
Calculated band offsets at a interface. All values are in eV.
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