Silicon: Difference between revisions
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====Tersoff potential==== | ====Tersoff potential==== | ||
<ref>[http://dx.doi.org/10.1103/PhysRevB.37.6991 J. Tersoff "New empirical approach for the structure and energy of covalent systems", Physical Review B '''37''' pp. 6991-7000 (1988)]</ref> | <ref>[http://dx.doi.org/10.1103/PhysRevB.37.6991 J. Tersoff "New empirical approach for the structure and energy of covalent systems", Physical Review B '''37''' pp. 6991-7000 (1988)]</ref> | ||
====Quantum==== | |||
<ref>[http://dx.doi.org/10.1103/PhysRevLett.94.095701 M. Kaczmarski, O.N. Bedoya-Martínez, and E.R. Hernández "Phase Diagram of Silicon from Atomistic Simulations", Physical Review Letters '''94''' p. 095701 (2005)]</ref> | |||
==Melting point== | ==Melting point== | ||
Yoo et al have calculated the melting point to be <math>T_m \approx1540 \pm 50 ~\mathrm{K}</math> at zeo pressure | Yoo et al have calculated the melting point to be <math>T_m \approx1540 \pm 50 ~\mathrm{K}</math> at zeo pressure | ||
Revision as of 13:58, 16 December 2009
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Silicon (Si)
Models of silicon
Stillinger-Weber model
Tersoff potential
Quantum
Melting point
Yoo et al have calculated the melting point to be at zeo pressure [4]
Polyamorphism in silicon
Silicon is a polyamorphic system. [5] [6] [7] [8]
References
- ↑ 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)
- ↑ J. Tersoff "New empirical approach for the structure and energy of covalent systems", Physical Review B 37 pp. 6991-7000 (1988)
- ↑ M. Kaczmarski, O.N. Bedoya-Martínez, and E.R. Hernández "Phase Diagram of Silicon from Atomistic Simulations", Physical Review Letters 94 p. 095701 (2005)
- ↑ Soohaeng Yoo, Sotiris S. Xantheas and Xiao Cheng Zeng "The melting temperature of bulk silicon from ab initio molecular dynamics simulations", Chemical Physics Letters 481 pp. 88-90 (2009)
- ↑ 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)
- ↑ Srikanth Sastry and C. Austen Angell "Liquid–liquid phase transition in supercooled silicon", Nature Materials 2 pp. 739 - 743 (2003)
- ↑ Philippe Beaucage and Normand Mousseau "Liquid–liquid phase transition in Stillinger–Weber silicon", Jorunal of Physics: Condensed Matter 17 pp. 2269-2279 (2005)
- ↑ N. Jakse and A. Pasturel "Dynamic aspects of the liquid-liquid phase transformation in silicon", Journal of Chemical Physics 129 104503 (2008)
Related reading
- L. Goodwin, A. J. Skinner and D. G. Pettifor "Generating Transferable Tight-Binding Parameters: Application to Silicon", Europhysics Letters 9 pp. 701-706 (1989)
- Tianshu Li, Davide Donadio, and Giulia Galli "Nucleation of tetrahedral solids: A molecular dynamics study of supercooled liquid silicon", Journal of Chemical Physics 131 224519 (2009)