Study of Transition Metal Nitride Ti1-xZrxN Alloy at High Pressure

Abstract

The structural properties of transition metal nitride using have been explored in the present paper. The study has been extended to Ti_1-xZr_xN alloy (0 ≤ x≤ 1) alloy and the effect of composition on structural, and elastic properties are investigated. Phase transition pressure and related volume collapses [ΔV (Pt)/V(0)] calculated from this approach are in good agreement with available literature for the parent compounds (x=0 and x=1). The present compounds exhibit in rock salt (NaCl) structure at ambient condition, it transforms to cesium chloride (CsCl) structure under high pressure. The results for the mixed crystal counter parts are also in fair agreement with experimental data generated from the application of Vegard’s law to data for the parent compounds.

Keywords, Alloy, Crystal structure, Phase transitions, High pressure Elastic property.