First-principles calculation of the structural, electronic, elastic, and optical properties of sulfur-doping <italic>ε</italic>-GaSe crystal

First-principles calculation of the structural, electronic, elastic, and optical properties of sulfur-doping ε-GaSe crystal

Huang Chang-Bao, Wu Hai-Xin^†,, Ni You-Bao, Wang Zhen-You, Qi Ming, Zhang Chun-Li

Schematic views of the crystal structure of (a) ε-GaSe, (b) GaSe_0.875S_0.125, (c) GaSe_0.75S_0.25, (d) β-GaS. The unit cells of ε-GaSe and β-GaS contain the same multi-layer structure and have different space group structures ( and respectively).