Recent progress of the native defects and p-type doping of zinc oxide*

Project supported by the State Key Program for Basic Research of China (Grant No. 2011CB302003), the National Natural Science Foundation of China (Grant Nos. 61274058, 61322403, 61504057, and 61574075), the Natural Science Foundation of Jiangsu Province, China (Grant Nos. BK20130013 and BK20150585), and the Six Talent Peaks Project in Jiangsu Province, China (Grant No. 2014XXRJ001).

Tang Kun, Gu Shu-Lin, Ye Jian-Dong, Zhu Shun-Ming, Zhang Rong, Zheng You-Dou
       

(color online) Schematic depiction of the molecular orbitals of an interstitial Zn cluster consisting of atoms. The bonding orbital of the interstitial molecule hybridizes with oxygen 2p orbitals and with the third interstitial Zn atom. The energy levels are calculated by HSE hybrid functional.[20]