Comparisons of ZnO codoped by group ⅢA elements(Al,Ga,In)and N: a first-principle study*

• 来源期刊: 中国物理B（英文版）
• 关键词: first-principles ZnO conductivity doping
• 年，卷（期）: 2010,（11）
• 页码范围: 528-535
• 页数: 8页
• 语种: 英文

摘要

The electronic structures and effective masses of the N mono-doped and Al-N,Ga-N,In-N codoped ZnO system have been calculated by a first-principle method,and comparisons among different doping cases are made.According to the results,the impurity states in the codoping cases are more delocalised compared to the N mono-doping case,which means a better conductive behaviour can be obtained by codoping.Besides,compared to the Al-N and Ga-N codoping cases,the hole effective mass of In-N codoped system is much smaller,indicating the p-type conductivity can be more enhanced by In-N codoping.