Project supported by the State Key Program for Basic Research of China (Grant No.2011CB302003);the Project of High Technology Research and Development Program of China (Grant No.2007AA03Z404);the National Natural Science Foundation of China (Grant Nos.60990312,61274058,61025020,and 61073101);the Natural Science Foundation of Anhui Province,China (Grant No.1208085QF116)
The structural, energetic, and electronic properties of lattice highly mismatched ZnY1-xOx (Y = S, Se, Te) ternary alloys with dilute O concentrations are calculated from first principles within the density function...