Instability of the CsCl structure in ionic solids at high pressures

Academic Article


  • 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. © 1985 The American Physical Society.
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    Digital Object Identifier (doi)

    Author List

  • Vohra YK; Duclos SJ; Ruoff AL
  • Start Page

  • 570
  • End Page

  • 573
  • Volume

  • 54
  • Issue

  • 6