Structural and topological changes in silica glass at pressure

C. J. Benmore, E. Soignard, S. A. Amin, M. Guthrie, S. D. Shastri, P. L. Lee, and J. L. Yarger
Phys. Rev. B 81, 054105 – Published 5 February 2010

Abstract

The effects of high pressures on the structure of silica glass have been elucidated using high-energy x-ray diffraction up to 43.5 GPa. A decrease in the first two peak positions in the real-space pair-distribution functions up to 15 GPa indicates an initial shrinkage of the tetrahedral units. Above this threshold pressure the Si-O bond peak shape becomes asymmetric and the average Si-O bond length and coordination number both increase linearly with pressure. Also, strained geometries in the O-O correlations lead a pronounced topological rearrangement of the second and third nearest neighbors.

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  • Received 15 December 2009

DOI:https://doi.org/10.1103/PhysRevB.81.054105

©2010 American Physical Society

Authors & Affiliations

C. J. Benmore1,2,*,†, E. Soignard3, S. A. Amin3, M. Guthrie1,4, S. D. Shastri1, P. L. Lee1, and J. L. Yarger3,2,*,‡

  • 1X-ray Science Division, Advanced Photon Source, Argonne National Laboratory, Argonne, Illinois 60439, USA
  • 2Department of Physics, Arizona State University, Tempe, Arizona 85287-1504, USA
  • 3Department of Chemistry & Biochemistry, Arizona State University, Tempe, Arizona 85287-1604, USA
  • 4EFree Center, Geophysical Laboratory, Carnegie Institution of Science, Washington, DC 20015-1305, USA

  • *Corresponding author.
  • benmore@aps.anl.gov
  • jyarger@gmail.com

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Vol. 81, Iss. 5 — 1 February 2010

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