L12-D022 competition in the pseudobinary (Pt, Rh)3V, Pt3(V, Ti), and (Pd, Rh)3V alloys: Phase stability and electronic structure.

Abstract

It is shown that the progressive substitution of a small amount of Pd and Pt by Rh in Pd{sub 3}V and Pt{sub 3}V whose ground state is the {ital DO}{sub 22} structure, or the substitution of V by Ti in Pt{sub 3}V, stabilizes a few simple long period structures and finally the {ital L}1{sub 2} structure. This occurs for an electron per atom ratio about 8.6, in full agreement with accurate electronic structure calculations. {copyright} {ital 1996 The American Physical Society.}