Xing Shuang, Wang Manfu, Wang Yaru, Tao Hualong, Cui Yan, Liu Shimin, He Ming, Song Bo, Jian Jikang, Tian Xingjian, Zhang Zhihua
School of Materials Science and Engineering, Dalian Jiaotong University, Dalian, 116028, PR China.
School of Physics and Materials Engineering, Dalian Minzu University, Dalian, 116600, PR China.
Micron. 2021 Apr;143:103012. doi: 10.1016/j.micron.2021.103012. Epub 2021 Jan 23.
The electronic structure of GaN and GaN:Zn was investigated by electron energy loss spectroscopy and first-principles calculations. In the low-loss spectrum, the interband transitions are assigned to the observed energy loss peaks. After Zn doping, impurity levels are introduced to the density of states and hybrid orbitals of N 2p and Zn 3d are formed around the Fermi level. In the nitrogen K-edge, an additional peak was observed due to the formation of donor defect states. A core-hole effect is believed to be significant for simulation of the N K-edge for both GaN and GaN:Zn.
通过电子能量损失谱和第一性原理计算研究了GaN和GaN:Zn的电子结构。在低损耗谱中，带间跃迁被归因于观测到的能量损失峰。Zn掺杂后，杂质能级被引入到态密度中，并且在费米能级附近形成了N 2p和Zn 3d的杂化轨道。在氮K边，由于施主缺陷态的形成观测到了一个额外的峰。对于GaN和GaN:Zn的N K边模拟，核空穴效应被认为是显著的。
