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Silicon

2018-06-09T04:48:45Z

Ddhabal: /* Transport Anomaly */

{{Stub-general}}
'''Silicon''' (Si)
==Models of silicon==
====Stillinger-Weber model====
<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====
<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 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==
Silicon is a [[Polyamorphic systems | polyamorphic system]].
<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>
<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>
<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>
<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>
<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/>
'''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: Polyamorphic systems]]

Silicon

2018-06-09T04:46:52Z

Ddhabal:

{{Stub-general}}
'''Silicon''' (Si)
==Models of silicon==
====Stillinger-Weber model====
<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====
<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 studies by Dhabal et. al. shows that silicon possess transport(Diffusivity Viscosity) anomalies.
[[Transport Anomaly]] (<math>k</math>) <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==
Silicon is a [[Polyamorphic systems | polyamorphic system]].
<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>
<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>
<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>
<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>
<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/>
'''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: Polyamorphic systems]]