Article ID Journal Published Year Pages File Type
1559058 Calphad 2011 4 Pages PDF
Abstract
► In this study we perform density-functional theory (DFT) calculations on Zn1−xCdxSb solid solution. ► We calculate band structures, Bader's charges, and electron localization functions. ► The energy gaps and Bader's charges exhibit peculiar behaviour for x=0.5.
Keywords
Related Topics
Physical Sciences and Engineering Materials Science Materials Science (General)
Preview
Electronic properties of Zn1−xCdxSb solid solution investigated by density-functional theory
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