First-Principles Study on Ga-N Co-Doped P-Type ZnO
Based on the density functional theory, the structure of pure ZnO, N doped, and Ga-N/Ga-2N co-doped wurtzite ZnO was calculated by using first-principle plane wave ultrasoft pseudopotential method. Electronic structures of these ZnO-based doping syetems were studied. The calculations of band structure, total density of states, and partial density of states show that Ga-2N donor/acceptor co-doped ZnO is easier to implement the p-type ZnO than other cases.
Jianzhong Wang and Jingang Qi
H. S. Zhao et al., "First-Principles Study on Ga-N Co-Doped P-Type ZnO", Advanced Materials Research, Vols. 299-300, pp. 498-502, 2011