Effective pair potential and structural phase transitions of Cr, Mo, and W
Phys. Rev. B 46, 90 – Published 1 July, 1992
DOI: https://doi.org/10.1103/PhysRevB.46.90
Abstract
A fast-converging transition-metal pair potential is used to interpret the structural phase transitions of Cr, Mo, and W under pressure. The bcc structure at equilibrium is found to be most stable for these three metals. The elastic constants, bulk modulus, binding energy, and phonon frequencies of these metals at the observed volume are also calculated. The calculated values and experimental results are found to agree within 15–20 %, with a few exceptions.