Tight-binding molecular-dynamics study of liquid Si
Journal Article
·
· Physical Review, B: Condensed Matter; (United States)
- Ames Laboratory, Ames, Iowa 50011 (United States) Department of Physics Microelectronics Research Center, Iowa State University, Ames, Iowa 50011 (United States)
- Ames Laboratory, Ames, Iowa 50011 (United States)
We have carried out molecular-dynamics simulation of liquid Si using the tight-binding Hamiltonian proposed by Goodwin, Skinner and Pettifor. The simulation results on the structural and dynamical properties (radial and angular distribution functions, the electronic density-of-states, and the diffusion constant) are presented and compared with results from classical-potential simulation and {ital ab} {ital initio} molecular dynamics (Car-Parrinello method).
- DOE Contract Number:
- W-7405-ENG-82
- OSTI ID:
- 7292715
- Journal Information:
- Physical Review, B: Condensed Matter; (United States), Journal Name: Physical Review, B: Condensed Matter; (United States) Vol. 45:21; ISSN PRBMD; ISSN 0163-1829
- Country of Publication:
- United States
- Language:
- English
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