Silicon

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Silicon (Si)

Models of silicon[edit]

Stillinger-Weber model[edit]

[1]

Tersoff potential[edit]

[2]

Quantum[edit]

[3]

Melting point[edit]

Yoo et al have calculated the melting point to be T_m \approx1540 \pm 50 ~\mathrm{K} at zeo pressure [4]. The melting line has also been calculated [5].

Thermal conductivity[edit]

Thermal conductivity (k) [6].

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]

  1. 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)
  2. J. Tersoff "New empirical approach for the structure and energy of covalent systems", Physical Review B 37 pp. 6991-7000 (1988)
  3. M. Kaczmarski, O.N. Bedoya-Martínez, and E.R. Hernández "Phase Diagram of Silicon from Atomistic Simulations", Physical Review Letters 94 p. 095701 (2005)
  4. 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)
  5. 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)
  6. 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)
  7. 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)
  8. 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)
  9. Srikanth Sastry and C. Austen Angell "Liquid–liquid phase transition in supercooled silicon", Nature Materials 2 pp. 739 - 743 (2003)
  10. Philippe Beaucage and Normand Mousseau "Liquid–liquid phase transition in Stillinger–Weber silicon", Jorunal of Physics: Condensed Matter 17 pp. 2269-2279 (2005)
  11. N. Jakse and A. Pasturel "Dynamic aspects of the liquid-liquid phase transformation in silicon", Journal of Chemical Physics 129 104503 (2008)
  12. 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)
  13. K. M. S. Garcez and A. Antonelli "Polyamorphism in tetrahedral substances: Similarities between silicon and ice", Journal of Chemical Physics 143 034501 (2015)
  14. 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)

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