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Ab initio study of intrinsic, H, and He point defects in hcp-Er

โœ Scribed by Yang, L.; Peng, S. M.; Long, X. G.; Gao, F.; Heinisch, H. L.; Kurtz, R. J.; Zu, X. T.


Book ID
120399961
Publisher
American Institute of Physics
Year
2010
Tongue
English
Weight
892 KB
Volume
107
Category
Article
ISSN
0021-8979

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Ab initio calculations about intrinsic p
โœ C.S. Becquart; C. Domain ๐Ÿ“‚ Article ๐Ÿ“… 2007 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 160 KB

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