H enhancement of N vacancy migration in GaN.
Journal Article
·
· Proposed for publication in Applied Physics Letters.
We have used density functional theory to investigate diffusion of V{sub N}{sup +} in the presence of H{sup +}. Optimal migration pathways were determined using the climbing image nudged elastic band and directed dimer methods. Our calculations indicate that the rate-limiting barrier for VN{sub N}{sup +} migration will be reduced by 0.58 eV by interplay with H{sup +}, which will enhance migration by more than an order of magnitude at typical GaN growth temperatures.
- Research Organization:
- Sandia National Laboratories (SNL), Albuquerque, NM, and Livermore, CA (United States)
- Sponsoring Organization:
- USDOE
- DOE Contract Number:
- AC04-94AL85000
- OSTI ID:
- 973647
- Report Number(s):
- SAND2005-4265J; APPLAB; TRN: US201006%%1041
- Journal Information:
- Proposed for publication in Applied Physics Letters., Vol. 87, Issue 20; ISSN 0003-6951
- Country of Publication:
- United States
- Language:
- English
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