Random iron-nickel alloys: From first principles to dynamic spin fluctuation theory

G. V. Paradezhenko, D. Yudin, A. A. Pervishko

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Abstract

We provide a systematic analysis of finite-temperature magnetic properties of random alloys FexNi1-x with the face-centered-cubic structure over a broad concentration range x. By means of the spin-polarized relativistic Korringa-Kohn-Rostoker method we calculate the electronic structure of disordered iron-nickel alloys and discuss how a composition change affects magnetic moments of Fe and Ni and the density of states. We investigate how the Curie temperature depends on Fe concentration using conventional approaches, such as mean-field approximation or Monte Carlo simulations, and dynamic spin-fluctuation theory. Being devised to account for spin fluctuations explicitly, the latter method shows the best fit to experimental results.

Original languageEnglish
Article numberA97
JournalPhysical Review B
Volume104
Issue number24
DOIs
Publication statusPublished - 15 Dec 2021

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