Phase transformation and elastic constants of HCP rare-earth metals: Theory
Abstract
The rare-earth metal pair potential (REMPP) is used to study the phase transformation of Tb, Dy, Ho, Er, Tm and Lu under pressure. The first phase transformation from HCP to BCC phase takes place at about 0.22 Mbar for all the metals. The second phase transformation from BCC to FCC takes place at about 1 Mbar. The cohesive energy, bulk modulus and elastic constants of these metals are also calculated and compared with the experimental values wherever available.
- Publication:
-
Physica B Condensed Matter
- Pub Date:
- October 1999
- DOI:
- 10.1016/S0921-4526(99)00180-5
- Bibcode:
- 1999PhyB..270..298S