Phase equilibrium of Cd<sub>1–<italic>x</italic></sub>Zn<italic><sub>x</sub></italic>S alloys studied by first-principles calculations and Monte Carlo simulations

Phase equilibrium of Cd_1–xZn_xS alloys studied by first-principles calculations and Monte Carlo simulations

Zhang Fu-Zhen¹, Xue Hong-Tao^{1, †,}, Tang Fu-Ling^{1, ‡,}, Li Xiao-Kang¹, Lu Wen-Jiang¹, Feng Yu-Dong²

Snapshots of (a)–(d) WZ and (e)–(h) ZB Cd_0.5Zn_0.5S alloys at different temperatures. Red and blue spheres represent Zn and Cd atoms, respectively.