We have used ab initio calculations in the framework of the density functional theory to determine the properties of the self-interstitial atom, the vacancy, vacancy clusters and He in tungsten. The most stable configuration for the self-interstitial atom is the h1 1 1i dumbbell. The divacancy is no
Ab initio calculations of charged point defects in GaN
β Scribed by A. Gulans; R. A. Evarestov; I. Tale; C.C. Yang
- Publisher
- John Wiley and Sons
- Year
- 2005
- Tongue
- English
- Weight
- 98 KB
- Volume
- 2
- Category
- Article
- ISSN
- 1862-6351
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