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Phonons in graphitic tubules: A tight-binding molecular dynamics study

✍ Scribed by Yu, Jin; Kalia, Rajiv K.; Vashishta, Priya


Book ID
120543118
Publisher
American Institute of Physics
Year
1995
Tongue
English
Weight
685 KB
Volume
103
Category
Article
ISSN
0021-9606

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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