A hybrid functional first-principles study on the band structure of non-strained Ge1−xSnx alloys

A hybrid functional first-principles study on the band structure of non-strained Ge_1−xSn_x alloys

Wang Xiaohuai¹, Chen Chengzhao¹, Feng Shengqi¹, Wei Xinyuan², Li Yun^{1, †}

(a) Calculated band structure of Ge bulk. (b) and (c) Calculated effective band structures of GeSn alloys with Sn concentrations of 1/64 and 1/16, respectively. The size of the filled circles in panels (b) and (c) represents the spectra weight that an electron occupies the corresponding energy.