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Abstract In this paper, first principles were adopted to calculate the electronic structure and optical properties of ZnO heavily doped by Sn for intermediate band materials, and we also investigated… Click to show full abstract
Abstract In this paper, first principles were adopted to calculate the electronic structure and optical properties of ZnO heavily doped by Sn for intermediate band materials, and we also investigated the effects of different Sn doping ratios on the intermediate band structure of ZnO. The results show that Sn heavily doped ZnO can form effective intermediate band, and it is caused by hybrids of Sn-s and O-p orbitals. When the Sn doping ratio reaches 1/8, an intermediate band structure with excellent optical properties can be formed. When Sn doping ratio reaches 1/4, ZnO shows electrical conductivity of alloy.
Journal Title: Superlattices and Microstructures
Year Published: 2020
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