Crystal structure, electronic structure and thermoelectric properties of β- and γ-Zn4Sb3 thermoelectrics: a (3 + 1)-dimensional superspace group approach

Abstract

Using a (3 + 1)-dimensional ((3 + 1)-D) superspace group approach, a composite crystal structure model for β- and γ-phases of Zn₄Sb₃ is constructed. Intercalation of Zn atoms into the Zn_i site is found, which affects thermoelectric properties.