A first-principles approach to investigating the effects of Be, Mg and Zn on intrinsic n-type GaN systems
- Authors
- Lee, Sung-Ho; Ryu, Jeong Ho; Kim, Yoon-Suk; Oh, Yongsoo; Chung, Yong-Chae
- Issue Date
- Apr-2010
- Publisher
- KOREAN ASSOC CRYSTAL GROWTH, INC
- Keywords
- First-principles; GaN; LED; Be doping; Mg doping; Zn doping
- Citation
- JOURNAL OF CERAMIC PROCESSING RESEARCH, v.11, no.2, pp.273 - 276
- Indexed
- SCIE
SCOPUS
KCI
- Journal Title
- JOURNAL OF CERAMIC PROCESSING RESEARCH
- Volume
- 11
- Number
- 2
- Start Page
- 273
- End Page
- 276
- URI
- https://scholarworks.bwise.kr/hanyang/handle/2021.sw.hanyang/175180
- ISSN
- 1229-9162
- Abstract
- The effects of p-type dopants on the structural and electronic properties of n-type intrinsic GaN systems were investigated using a first-principles approach. Nitrogen vacancies and oxygen substitutions were intentionally used to obtain an n-type intrinsic GaN system. The formation energy of the Be-doped n-type intrinsic GaN system based on nitrogen vacancies depended strongly on concentration, with a maximum energy difference of 4.87 eV. The incorporation of metallic cations (Be, Mg, and Zn) led to the formation of a p-type GaN system with desirable electronic properties that were attributed to charge transfer from partially occupied Ga-, N-, and O-s states to the p states of the metallic cations.
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