Magnetic properties of X-Pt (X=Fe,Co,Ni) alloy systems

TL;DR

This study investigates the electronic and magnetic properties of Fe-Pt, Co-Pt, and Ni-Pt alloy systems in both ordered and disordered phases, analyzing the effects of exchange-correlation functionals and short-range order.

Contribution

It provides a comprehensive computational analysis of magnetic properties in X-Pt alloys, including effects of disorder and short-range order, with validation against experimental data.

Findings

Good agreement with experimental magnetic moments and lattice parameters.

Influence of exchange-correlation functionals on computed properties.

Effects of short-range order on disordered alloy electronic structure.

Abstract

We have studied the electronic and magnetic properties of Fe-Pt, Co-Pt and Ni-Pt alloy systems in ordered and disordered phases. The influence of various exchange-correlation functionals on values of equilibrium lattice parameters and magnetic moments in ordered Fe-Pt, Co-Pt and Ni-Pt alloys have been studied using linearized muffin-tin orbital method. The electronic structure calculations for the disordered alloys have been carried out using augmented space recursion technique in the framework of tight binding linearized muffin-tin orbital method. The effect of short range order has also been studied in the disordered phase of these systems. The results show good agreements with available experimental values.