Silicon
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Silicon (Si)
Models of silicon[edit]
Stillinger-Weber model[edit]
Tersoff potential[edit]
Quantum[edit]
Melting point[edit]
Yoo et al have calculated the melting point to be at zeo pressure [4]. The melting line has also been calculated [5].
Thermal conductivity[edit]
Transport Anomaly[edit]
Recent molecular dynamics studies by Dhabal et. al. shows that silicon possess transport (diffusivity viscosity) anomalies [7].
Polyamorphism in silicon[edit]
Silicon is a polyamorphic system. [8] [9] [10] [11] [12] [13] [14].
References[edit]
- ↑ 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)
- ↑ V. S. Dozhdikov, A. Yu. Basharin, and P. R. Levashov "Two-phase simulation of the crystalline silicon melting line at pressures from –1 to 3 GPa", Journal of Chemical Physics 137 054502 (2012)
- ↑ P. C. Howell "Comparison of molecular dynamics methods and interatomic potentials for calculating the thermal conductivity of silicon", Journal of Chemical Physics 137 224111 (2012)
- ↑ D. Dhabal, C. Chakravarty, V. Molinero and H. Kashyap "Comparison of liquid state anomalies in Stillinger-Weber models of Water, Silicon and Germanium", Journal of Chemical Physics 145 214502 (2016)
- ↑ 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)
- ↑ K. M. S. Garcez and A. Antonelli "Pressure effects on the transitions between disordered phases in supercooled liquid silicon", Journal of Chemical Physics 135 204508 (2011)
- ↑ K. M. S. Garcez and A. Antonelli "Polyamorphism in tetrahedral substances: Similarities between silicon and ice", Journal of Chemical Physics 143 034501 (2015)
- ↑ G. Zhao, Y. J. Yu and X. M. Tan "Nature of the first-order liquid-liquid phase transition in supercooled silicon", Journal of Chemical Physics 143 054508 (2015)
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)
- Qi Zhang, Qikai Li, and Mo Li "Melting and superheating in solids with volume shrinkage at melting: A molecular dynamics study of silicon", Journal of Chemical Physics 138 044504 (2013)
- Samuel Cajahuaringa, Maurice de Koning and Alex Antonelli "Revisiting dynamics near a liquid-liquid phase transition in Si and Ga: The fragile-to-strong transition", Journal of Chemical Physics 139 224504 (2013)
- Vishwas V. Vasisht, John Mathew, Shiladitya Sengupta and Srikanth Sastry "Nesting of thermodynamic, structural, and dynamic anomalies in liquid silicon", Journal of Chemical Physics 141 124501 (2014)
- M. Mayo, S. Shor, E. Yahel and G. Makov "Short range order in elemental liquids of column IV", Journal of Chemical Physics 142 194501 (2015)