Structural and Dynamic Properties of Amorphous Silicon： Tight-Binding Molecular Dynamics Simulation
摘要
The tight-binding molecular dynamics simulation has been performed to study structural and dynamical properties of amorphous silicon. It is found that the radial distribution function and static structure factor are in good agreement with the experimental measurements. The bond order parameters Q1 are sensitive to the structure change at different quenching rates. For the dynamical properties, we have calculated the vibration and electronic density of states. The simulation results show that the transverse acoustic is in good agreement with the experimental data, and the high frequency transverse optical (TO) peak shifts to the right of the experimental TO peak.
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黄世萍, 汪文川. Structural and Dynamic Properties of Amorphous Silicon： Tight-Binding Molecular Dynamics Simulation[J]. Acta Scientiarum Naturalium Universitatis Sunyatseni, 2004.
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