Instability of the CsCl Structure in Ionic Solids at High Pressures

Y. K. Vohra, S. J. Duclos, and Arthur L. Ruoff
Phys. Rev. Lett. 54, 570 – Published 11 February 1985
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Abstract

It is shown by a simple model calculation that the ionic solids in the CsCl phase transform discontinuously to a tetragonal phase under high pressures at a fractional volume in the neighborhood of 0.5. This general result follows as a consequence of competing Madelung energy and repulsive energy terms. The ca variation with pressure and transition volume fraction are in approximate agreement with the recent ultrahigh pressure experiments on cesium halides.

  • Received 20 August 1984

DOI:https://doi.org/10.1103/PhysRevLett.54.570

©1985 American Physical Society

Authors & Affiliations

Y. K. Vohra, S. J. Duclos, and Arthur L. Ruoff

  • Department of Materials Science and Engineering, Cornell University, Ithaca, New York 14853

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Issue

Vol. 54, Iss. 6 — 11 February 1985

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