Electronic and optical properties of GaN–MoS<sub>2</sub> heterostructure from first-principles calculations

Electronic and optical properties of GaN–MoS₂ heterostructure from first-principles calculations

Ren Dahua^†, Tan Xingyi, Zhang Teng, Zhang Yuan

Structure (4 × 4 supercells) of GaN–MoS₂ HS from (a) the top view and (b) the side view, where the purple, gray, blue, and brown balls represent the Mo, S, N, and Ga atoms, respectively.