First-Principle Computed Structural and Thermodynamic Properties of Cu2ZnSn(SxSe1−x)4 Pentanary Solid Solution
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DOI: 10.1007/s11664-019-07496-w
Abstract: This paper is dedicated to the ab initio study of the structural and thermodynamic properties of Cu2ZnSn(SxSe1−x)4 bulk alloys. The calculations are conducted using full-potential linear-augmented-plane-wave plus local-orbital (FP-LAPW + lo) method within the revised generalized gradient… read more here.
Keywords: thermodynamic properties; first principle; properties cu2znsn; cu2znsn sxse1 ... See more keywords