Phys. Rev. B 68, 073203 (2003) [4 pages]Realistic models of amorphous silica: A comparative study of different potentialsReceived 19 November 2002; revised 9 April 2003; published 22 August 2003 The creation of realistic models of amorphous silica has been studied using the Monte Carlo based method of Wooten, Winer, and Weaire, where the bond-topology is optimized with respect to an interatomic potential model. The commonly used Keating potentials are compared and their strengths and weaknesses are assessed. The mean oxygen bond-angle obtained using these potentials turned out to be too small. A modification of the potential parameters is shown to correct this feature and thus produce better results when used with the Wooten-Winer-Weaire method. © 2003 The American Physical Society URL:
http://link.aps.org/doi/10.1103/PhysRevB.68.073203
DOI:
10.1103/PhysRevB.68.073203
PACS:
61.43.Dq, 61.20.Ja
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