Structural properties of α-quartz near the amorphous transition

James R. Chelikowsky, H. E. King, Jr., N. Troullier, José Lus Martins, and J. Glinnemann
Phys. Rev. Lett. 65, 3309 – Published 24 December 1990
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Abstract

Quartz undergoes a gradual transition with pressure from a crystalline to an amorphous state. The mechanism for this pressure-induced transition is not well understood. By combining new experimental pressure data and recently developed theoretical methods, we have determined the structural properties of α-quartz near and above this transition. We suggest that highly unfavorable interpolyhedral anion-anion distances, which occur at the transition pressure, play a key role in driving the transition.

  • Received 7 September 1990

DOI:https://doi.org/10.1103/PhysRevLett.65.3309

©1990 American Physical Society

Authors & Affiliations

James R. Chelikowsky, H. E. King, Jr., N. Troullier, José Lus Martins, and J. Glinnemann

  • Department of Chemical Engineering and Materials Science, Minnesota Supercomputer Institute, University of Minnesota, Minneapolis, Minnesota 55455
  • Corporate Research Science Laboratories, Exxon Research and Engineering Company, Annandale, New Jersey 08801
  • Institute for Crystallography, Rheinisch-Westfälische Technische Hochschule Aachen, D-5100 Aachen, Federal Republic of Germany

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Issue

Vol. 65, Iss. 26 — 24 December 1990

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