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Chain structure of liquid and amorphous selenium: tight-binding molecular-dynamics simulation

✍ Scribed by Futoshi Shimizu; Hideo Kaburaki; Tatsuki Oda; Yasuaki Hiwatari


Book ID
117149886
Publisher
Elsevier Science
Year
1999
Tongue
English
Weight
117 KB
Volume
250-252
Category
Article
ISSN
0022-3093

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Tight-binding molecular dynamics simulat
✍ A. Laref πŸ“‚ Article πŸ“… 2011 πŸ› John Wiley and Sons 🌐 English βš– 610 KB

## Abstract We investigate the structural, electronic and dynamical properties of ZnSe liquid using tight‐binding molecular dynamics (TBMD) simulations. We report the TBMD calculations for the solid and liquid forms of the ZnSe compound. To produce more realistic results the TB model includes the l