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Nickel-related defect in diamond: A tight-binding molecular-dynamics study

✍ Scribed by Kenji Tsuruta; Satoshi Emoto; Chieko Totsuji; Hiroo Totsuji


Book ID
116374725
Publisher
Elsevier Science
Year
2007
Tongue
English
Weight
786 KB
Volume
38
Category
Article
ISSN
0927-0256

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Tight-binding molecular-dynamics study o
✍ Ping Liu; Yuming Wang πŸ“‚ Article πŸ“… 1999 πŸ› Elsevier Science βš– 116 KB

The empirical tight-binding molecular dynamic simulations of Cu O are performed. It is shown that the atomic and electronic 4 structure can be calculated reasonably with this kind of TB model and repulsive potentials used in this paper. The calculated structures are in good agreement with the result