Lattice Monte Carlo simulation with a renormalized potential in Si

R. Sahara, H. Mizuseki, K. Ohno, H. Kubo, Y. Kawazoe

研究成果: Article査読

3 被引用数 (Scopus)

抄録

Monte Carlo (MC) simulation is carried out to study solidification of Si by a BCC lattice-gas model. To describe actual Si phases as quantitatively as possible, the Tersoff Si potential is mapped onto the BCC model by using the potential renormalization technique proposed by one of us. Using the renormalized potential, thermal properties are obtained for four plausible Si structures. The solidification process is studied by MC simulation. It is shown that calculation of the thermal properties of Si is greatly improved by using the lattice model with a renormalized potential.

本文言語English
ページ(範囲)610-614
ページ数5
ジャーナルJournal of Crystal Growth
229
1
DOI
出版ステータスPublished - 2001 7 2

ASJC Scopus subject areas

  • Condensed Matter Physics
  • Inorganic Chemistry
  • Materials Chemistry

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