First-Principle Studies on Conductive Behaviors of P-Type ZnO Codoped by N and B

• 来源期刊: 理论物理通讯(英文版)
• 学科: 物理学
• 关键词: 第一性原理 掺杂行为 p型 ZnO 导电 氧化锌 地层能量 电子结构
• 年，卷（期）: 2010,（10）
• 页码范围: 723-727
• 页数: 5页
• 分类号: O561.2 TG146.411
• 语种: 英文

摘要

Using a first-principle method, the electronic structures and the impurity formation energy of ZnO, ZnO(N), ZnO (N+B), and ZnO (2N+B) have been calculated, based on which the feasibility to obtain p-type ZnO isdiscussed.According to the results, when ZnO is single doped by N, the acceptor level is deep, and the formation energyis negative, so the ideal p-type ZnO can not be obtained by this way.On the contrary, when 2N+B are codoped intoZnO, the acceptor level becomes much lower, and the formation energy is positive, so it is a better way to obtain p-typeZnO.