Theoretical optoelectronic analysis of intermediate-band photovoltaic material based on ZnY 1-x O x (Y = S, Se, Te) semiconductors by first-principles calculations

Wu, Kong-PingGu, ShulinYe, JiandongTang, KunZhu, ShunmingZhou, Meng-RanHuang, You-RuiZhang, R.Zheng, Youdou2015-12-131674-1056http://hdl.handle.net/1885/77845The 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 functional theory. We demonstrate the formationTheoretical optoelectronic analysis of intermediate-band photovoltaic material based on ZnY 1-x O x (Y = S, Se, Te) semiconductors by first-principles calculations201310.1088/1674-1056/22/10/1071032015-12-11