Silicon

Silicon (Si)

Models of silicon

Stillinger-Weber model

• Frank H. Stillinger and Thomas A. Weber "Computer simulation of local order in condensed phases of silicon", Physical Review B 31 pp. 5262 - 5271 (1985)

Tersoff potential

• J. Tersoff "New empirical approach for the structure and energy of covalent systems", Physical Review B 37 pp. 6991-7000 (1988)

Melting point

Yoo et al have calculated the melting point to be $T_{m}\approx 1540\pm 50~\mathrm {K}$ at zeo pressure

• Soohaeng Yoo, Sotiris S. Xantheas and Xiao Cheng Zeng "The melting temperature of bulk silicon from ab initio molecular dynamics simulations", Chemical Physics Letters (2009)

Polyamorphism in silicon

Silicon is a polyamorphic system.

1. Sudip K. Deb, Martin Wilding, Maddury Somayazulu and Paul F. McMillan "Pressure-induced amorphization and an amorphous–amorphous transition in densified porous silicon", Nature 414 pp. 528-530 (2001)
2. Srikanth Sastry and C. Austen Angell "Liquid–liquid phase transition in supercooled silicon", Nature Materials 2 pp. 739 - 743 (2003)
3. Philippe Beaucage and Normand Mousseau "Liquid–liquid phase transition in Stillinger–Weber silicon", Jorunal of Physics: Condensed Matter 17 pp. 2269-2279 (2005)
4. N. Jakse and A. Pasturel "Dynamic aspects of the liquid-liquid phase transformation in silicon", Journal of Chemical Physics 129 104503 (2008)

References

1. L. Goodwin, A. J. Skinner and D. G. Pettifor "Generating Transferable Tight-Binding Parameters: Application to Silicon", Europhysics Letters 9 pp. 701-706 (1989)