%A CHEN Kun; FAN Guang-Han; ZHANG Yong; DING Shao-Feng
%T First-Principle Calculation of Nitrogen-Doped *p*-Type ZnO
%0 Journal Article
%D 2008
%J Acta Phys. -Chim. Sin.
%R 10.3866/PKU.WHXB20080111
%P 61-66
%V 24
%N 01
%U {http://www.whxb.pku.edu.cn/CN/abstract/article_22142.shtml}
%8 2008-01-05
%X The electronic structures of pure and N-doped wurtzite ZnO were calculated using first-principle ultrasoft pseudo-potential approach of the plane wave based upon the density functional theory, and the structure change, bandstructure, density of state, the difference charge density, and the influence of p-type ZnO by H atom and N2 molecule were studied.