Fig. 1: DFT calculation.
From: High-performance p-channel transistors with transparent Zn doped-CuI
a Unit-cell of CuI and schematic of a Cu vacancy and doping at a Cu+ site. b (Upper panel) Projected band structure of CuI with a Cu vacancy content of 3%; the Cu 3d (orange), Cu 4s (blue), and I 5p (purple) states are shown. The corresponding schematic showing the orbital characteristics of the VBM and CBM is also presented. (Lower panel) Projected band structure of CuI with a Cu vacancy content of 3% and Zn2+ substitutional doping; the Cu 3d (orange), Cu 4s (blue), I 5p (purple), and Zn 4s (green) states are shown. The corresponding schematic showing the orbital characteristics of the VBM and CBM is also presented. c Radii and typical coordination of candidate dopant cations.
