Electron energy loss spectroscopy and first-principles study of GaN via Zn doping. (April 2021)

• Record Type: Journal Article
• Authors: Xing, Shuang; Wang, Manfu; Wang, Yaru; Tao, Hualong; Cui, Yan; Liu, Shimin; He, Ming; Song, Bo; Jian, Jikang; Tian, Xingjian; Zhang, Zhihua
• Is Part Of: Micron. Volume 143(2021)
• Publication Date: 2021-04
• Subjects: Microstructure -- Electronic structure -- Electron energy loss spectrum -- GaN:Zn; Microscopy -- Periodicals; Electron Probe Microanalysis -- Periodicals; Microscopy -- Periodicals; Microscopie -- Périodiques; Microscopy; Periodicals; 502.82
• DOI: 10.1016/j.micron.2021.103012
• Languages: English
• ISSNs: 0968-4328

Abstract

Highlights: Impurity levels introduced around the Fermi level are investigated. The hybridization between N 2p and Zn 3d levels is discussed. An additional peak is observed in the N K-edge of GaN:Zn due to the formation of donor defect states. Core-hole effects are important for the simulation of ELNES in GaN and GaN:Zn. Abstract: 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.