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Tight-binding molecular-dynamics study of a copper oxide Cu4O

✍ Scribed by Ping Liu; Yuming Wang

Publisher
Elsevier Science
Year
1999
Weight
116 KB
Volume
20
Category
Article
ISSN
0261-3069

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✦ Synopsis

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 results obtained by atomic resolution electron microscope.

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