Rhombohedral phase stability of the group-VA elements
- 15 May 1986
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 33 (10), 7371-7374
- https://doi.org/10.1103/physrevb.33.7371
Abstract
The structural stability of the rhombohedral and simple cubic phases is studied for the group-VA elements. Using an ab initio pseudopotential total-energy method, the calculated phonon frequencies for the longitudinal acoustic mode at the corner of the simple-cubic Brillouin zone are found to soften. This suggests that all group-V elements are likely to form in the rhombohedral structure with respect to the simple cubic phase. At high pressures, the rhombohedral stability is diminished, causing a transition to the simple-cubic structure.Keywords
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