A first-principles approach to investigating the effects of Be, Mg and Zn on intrinsic n-type GaN systems
- Author(s)
- Sung-Ho Lee, Jeong Ho Ryu, Yoon-Suk Kim, Yongsoo Oh, Yong-Chae Chung
- 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.
- Organisation(s)
- Computational Materials Physics
- External organisation(s)
- Samsung Electro-Mechanics, Hanyang University
- Journal
- Journal of Ceramic Processing Research
- Volume
- 11
- Pages
- 273-276
- No. of pages
- 4
- ISSN
- 1229-9162
- Publication date
- 2010
- Peer reviewed
- Yes
- Austrian Fields of Science 2012
- 103009 Solid state physics, 103015 Condensed matter, 103025 Quantum mechanics, 103036 Theoretical physics
- Portal url
- https://ucrisportal.univie.ac.at/en/publications/96b7993e-08f1-410f-a922-8a1ff5cd34e3