Pressure-induced Phase Transitions in Ti1-xVxC Solid Solution

Abstract

In present paper we have analyzed the relative structural stability and pressure dependent B1→B2structural phase transformations
in Ti1-xVxC solid solution. For the present work, we have used three-body force potential model which includes the long range as well as short range interactions, where Coulomb and three body interactions are the contents of long range part and the van der Waals multipole interactions and the Hafemeister and Flygare overlap repulsive interactions (effective up to the next nearest neighbors) makes the short range part. The calculated transition pressures are 490, 511, 531, 552 and 572 GPa for TiC, Ti0.75V0.25C, Ti0.50V0.50C, Ti0.25V0.75C, and VC compounds respectively. The Born criterion for stability is found to be valid in Ti1-xVxC solid solution.