Abstract
Total-energy, linearized augmented Slater-type orbital calculations have been done for rhenium as a function of lattice volume in response to recent experiments addressing the issue of whether the hcp phase of Re becomes unstable, with respect to the bcc phase, at high pressures. The calculations indicate that the hcp, in fact, becomes more stable, relative to the bcc, under compression.
- Received 18 March 1988
DOI:https://doi.org/10.1103/PhysRevB.38.7817
©1988 American Physical Society
