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 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