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 lattice structure of relaxed bi-layer terminated (a) and monolayer terminated (b) WZ-CuInS2 (100) surface; the lattice structure of relaxed bi-layer terminated (c) and monolayer terminated (d) WZ-CdS (100) surface.