Influence of oxygen-related defects on the electronic structure of GaN. (1st June 2022)

• Record Type: Journal Article
• Authors: Ohata, Satoshi; Kawamura, Takahiro; Akiyama, Toru; Usami, Shigeyoshi; Imanishi, Masayuki; Yoshimura, Masashi; Mori, Yusuke; Sumi, Tomoaki; Takino, Junichi
• Is Part Of: Japanese journal of applied physics. Volume 61:Number 6(2022)
• Publication Date: 2022-06-01
• Subjects: GaN -- first-principles calculation -- point defect -- optical property; Physics -- Periodicals; 621.05
• DOI: 10.35848/1347-4065/ac6645
• Languages: English
• ISSNs: 0021-4922

Abstract

Abstract: Perfect GaN is a colorless, transparent crystal. However, because of intentional and unintentional impurities, GaN crystals have colors and lose some transparency. O impurities are generally considered to be the origin of the coloration. In this paper, electronic structures of GaN, which include O-related point and complex defects, were analyzed using first-principles calculations to investigate their influence on the optical properties of GaN. It is found that the defect levels due to native point defects of Ga and N vacancies were compensated by O and H impurities, as well as divalent (Mg and Zn) and tetravalent (Si, Ge, and Sn) metal impurities.