Affiliation:
1. School of Electronic and Information, Guangdong Polytechnic Normal University, Guangzhou 510665, P. R. China
2. Guangdong Provincial Key Laboratory of Quantum Engineering and Quantum Materials, School of Physics and Telecommunication Engineering, South China Normal University, Guangzhou 510006, P. R. China
Abstract
In this paper, the plane wave ultra-soft pseudopotential method was performed to analyze the effect of neutral Zn vacancy (V[Formula: see text]) and O vacancy (V[Formula: see text]) on the electronic and magnetic properties of Mn-doped ZnO systems. In a [Formula: see text] ZnO:Mn supercell, the sites of V[Formula: see text] and V[Formula: see text] were set as nearest neighbor, next nearest neighbor and far nearest neighbor relative to Mn site, respectively. The results indicated that V[Formula: see text] is easier to be produced than V[Formula: see text] in the ZnO:Mn system, and both kinds of defects are more likely to be generated in the nearest neighbor of Mn site. Meanwhile, the ZnO:Mn-V[Formula: see text] system is p-type conductive. The farther the distance between V[Formula: see text] and Mn, the better the conductivity of the system. Contrary to V[Formula: see text], the ZnO:Mn-V[Formula: see text] system is n-type conductive. The farther the distance between V[Formula: see text] and Mn, the worse the conductivity of the system. Furthermore, the ZnO:Mn systems containing neutral V[Formula: see text] or V[Formula: see text] are both likely to be in antiferromagnetic phase. However, the presence of V[Formula: see text] will enhance the possibility, while V[Formula: see text] will weaken it.
Funder
National Natural Science Foundation of China
Natural Science Foundation of Guangdong Province
Special Innovation Project of Universities in Guangdong Province
Publisher
World Scientific Pub Co Pte Lt
Subject
Condensed Matter Physics,Statistical and Nonlinear Physics
Cited by
4 articles.
订阅此论文施引文献
订阅此论文施引文献,注册后可以免费订阅5篇论文的施引文献,订阅后可以查看论文全部施引文献