Tight-binding molecular-dynamics study of liquid Si
- 1 June 1992
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 45 (21) , 12227-12232
- https://doi.org/10.1103/physrevb.45.12227
Abstract
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 ab initio molecular dynamics (Car-Parrinello method).Keywords
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