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Tight-binding simulation of liquid and amorphous Si at zero pressure

✍ Scribed by Peter Klein; Herbert M. Urbassek; Thomas Frauenheim


Book ID
117627356
Publisher
Elsevier Science
Year
1999
Tongue
English
Weight
189 KB
Volume
13
Category
Article
ISSN
0927-0256

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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