Electronic structure, Fermi surface, and Curie temperature calculations for the Co-Pt system

Abstract

Three ordered compounds of the Co-Pt system, namely ${\mathrm{Co}}_{3}\mathrm{Pt},$ CoPt, and ${\mathrm{CoPt}}_{3},$ are ferromagnetic in nature. We have performed band-structure calculations for these compounds using the ab initio linear muffin-tin orbitals method. Our results are in agreement with the experimentally measured ground-state properties such as density of states, electronic specific-heat coefficient, and magnetic moments. The band-structure results along with the Mohn Wohlfarth theory are used to calculate the Curie temperature of these compounds. Our calculated values of the Curie temperature are in agreement with the experimental data of the Curie temperature. We also report calculations for the Fermi surface of ${\mathrm{Co}}_{3}\mathrm{Pt}$ and ${\mathrm{CoPt}}_{3}$ with the aim to ascertain how the Fermi surface is altered when Co(Pt) is replaced by Pt(Co), keeping the same crystal structure.