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Density functional calculations are performed to study the band structures of Bi2Te3-related binary (Bi2Te3, Sb2Te3, Bi2Se3, and Sb2Se3) and Sb/Se-doped ternary compounds [(Bi1−xSbx)2Te3 and Bi2(Te1−ySey)3]. The band gap was found to be increased by Sb doping and to be monotonically increased by Se doping. In ternary compounds,...
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