Lattice structures and electronic properties of WZ-CuInS<sub><bold>2</bold></sub>/WZ-CdS interface from first-principles calculations

Lattice structures and electronic properties of WZ-CuInS₂/WZ-CdS interface from first-principles calculations

Liu Hong-Xia¹, Tang Fu-Ling^{1, †,}, Xue Hong-Tao¹, Zhang Yu¹, Cheng Yu-Wen¹, Feng Yu-Dong²

The two interface bonding styles: (a) bi-layer faced to bi-layer on the interface (model A); (b) monolayer faced to monolayer on the interface (model B).