Structural, electronic and optical properties of Zn0.5Cr0.5S from first-principles

Three structural models of (a) zincblende Zn0.5Cr0.5SZB, (b) wurtzite Zn0.5Cr0.5SW and (c) rocksalt Zn0.5Cr0.5SRS. The S, Cr and Zn atoms are represent by yellow, wathet and pink balls, respectively.161