A semi-empirical potential for amorphous silicon
نویسندگان
چکیده
Modifications are proposed to the Stillinger-Weber potential, a semiempirical interaction potential for silicon. The modifications are specifically intended to improve the description of the amorphous phase. The potential is adjusted to reproduce the location of the transverse optic (TO) and transverse acoustic (TA) peaks of the vibrational density of states. These modifications also lead to excellent agreement with structural properties. Comparison with other semi-empirical potentials shows that amorphous silicon configurations generated with the modified potential have overall better vibrational
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