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 general Charge density difference (a) and partial enlarged view (b) (including Bader charges) for model A interface; the general charge density difference (c), and partial enlarged view (d) (including Bader charges) for model B interface.