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{{Stub-general}}
{{Stub-general}}
'''Silicon''' (Si)
==Models of silicon==
==Models of silicon==
====Stillinger-Weber model====
====Stillinger-Weber model====
*[http://dx.doi.org/10.1103/PhysRevB.31.5262      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)]
<ref>[http://dx.doi.org/10.1103/PhysRevB.31.5262      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)]</ref>
====Tersoff potential====
====Tersoff potential====
*[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>[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==
Yoo et al have calculated the melting point to be <math>T_m \approx1540 \pm 50 ~\mathrm{K}</math> at zeo pressure
<ref>[http://dx.doi.org/10.1016/j.cplett.2009.09.075 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)]</ref>. The melting line has also been calculated <ref>[http://dx.doi.org/10.1063/1.4739085  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)]</ref>.
==Thermal conductivity==
[[Thermal conductivity]] (<math>k</math>) <ref>[http://dx.doi.org/10.1063/1.4767516 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)]</ref>.
==Transport Anomaly==
Recent [[Molecular dynamics | molecular dynamics]] studies by Dhabal et. al. shows that silicon possess transport (diffusivity [[viscosity]]) anomalies   
<ref>[https://doi.org/10.1063/1.4967939 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)]</ref>.
 
==Polyamorphism in silicon==
==Polyamorphism in silicon==
Silicon is a [[Polyamorphic systems | polyamorphic system]].
Silicon is a [[Polyamorphic systems | polyamorphic system]].
#[http://dx.doi.org/10.1038/35107036 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)]
<ref>[http://dx.doi.org/10.1038/35107036 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)]</ref>
#[http://dx.doi.org/10.1038/nmat994 Srikanth Sastry and  C. Austen Angell "Liquid–liquid phase transition in supercooled silicon", Nature Materials '''2''' pp. 739 - 743 (2003)]
<ref>[http://dx.doi.org/10.1038/nmat994 Srikanth Sastry and  C. Austen Angell "Liquid–liquid phase transition in supercooled silicon", Nature Materials '''2''' pp. 739 - 743 (2003)]</ref>
#[http://dx.doi.org/10.1088/0953-8984/17/15/002  Philippe Beaucage and Normand Mousseau "Liquid–liquid phase transition in Stillinger–Weber silicon", Jorunal of Physics: Condensed Matter '''17''' pp.  2269-2279  (2005)]
<ref>[http://dx.doi.org/10.1088/0953-8984/17/15/002  Philippe Beaucage and Normand Mousseau "Liquid–liquid phase transition in Stillinger–Weber silicon", Jorunal of Physics: Condensed Matter '''17''' pp.  2269-2279  (2005)]</ref>
#[http://dx.doi.org/10.1063/1.2970084 N. Jakse and A. Pasturel "Dynamic aspects of the liquid-liquid phase transformation in silicon", Journal of Chemical Physics '''129''' 104503 (2008)]
<ref>[http://dx.doi.org/10.1063/1.2970084 N. Jakse and A. Pasturel "Dynamic aspects of the liquid-liquid phase transformation in silicon", Journal of Chemical Physics '''129''' 104503 (2008)]</ref>
[[Category: Polyamorphic systems]]
<ref>[http://dx.doi.org/10.1063/1.3663387 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)]</ref>
<ref>[http://dx.doi.org/10.1063/1.4926655  K. M. S. Garcez and A. Antonelli "Polyamorphism in tetrahedral substances: Similarities between silicon and ice", Journal of Chemical Physics '''143''' 034501 (2015)]</ref>
<ref>[http://dx.doi.org/10.1063/1.4928194  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)]</ref>.


==References==
==References==
#[http://dx.doi.org/10.1209/0295-5075/9/7/015  L. Goodwin, A. J. Skinner and D. G. Pettifor "Generating Transferable Tight-Binding Parameters: Application to Silicon", Europhysics Letters '''9''' pp. 701-706 (1989)]
<references/>
'''Related reading'''
*[http://dx.doi.org/10.1209/0295-5075/9/7/015  L. Goodwin, A. J. Skinner and D. G. Pettifor "Generating Transferable Tight-Binding Parameters: Application to Silicon", Europhysics Letters '''9''' pp. 701-706 (1989)]
*[http://dx.doi.org/10.1063/1.3268346 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)]
*[http://dx.doi.org/10.1063/1.4779384  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)]
*[http://dx.doi.org/10.1063/1.4843415  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)]
*[http://dx.doi.org/10.1063/1.4880559  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)]
*[http://dx.doi.org/10.1063/1.4921137  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)]
 
 
[[category: models]]
[[category: models]]
[[Category: Polyamorphic systems]]

Latest revision as of 12:57, 10 June 2018

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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 at zeo pressure [4]. The melting line has also been calculated [5].

Thermal conductivity[edit]

Thermal conductivity () [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)

Related reading

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