Magnetic properties of Fe1xNix alloy from CPA+DMFT perspectives

Alexander I. Poteryaev, Nikolay A. Skorikov, Vladimir I. Anisimov, and Michael A. Korotin
Phys. Rev. B 93, 205135 – Published 18 May 2016

Abstract

We use a combination of the coherent potential approximation and dynamical mean field theory to study magnetic properties of the Fe1xNix alloy from first principles. Calculated uniform magnetic susceptibilities have a Curie-Weiss-like behavior, and extracted effective temperatures are in agreement with the experimental results. The individual squared magnetic moments obtained as a function of nickel concentration follow the same trends as experimental data. An analysis of the ionic and spin weights shows a possibility of high-spin to intermediate- and low-spin state transitions at high temperatures.

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  • Received 30 October 2015
  • Revised 14 April 2016

DOI:https://doi.org/10.1103/PhysRevB.93.205135

©2016 American Physical Society

Physics Subject Headings (PhySH)

Condensed Matter, Materials & Applied Physics

Authors & Affiliations

Alexander I. Poteryaev, Nikolay A. Skorikov, Vladimir I. Anisimov, and Michael A. Korotin

  • M. N. Miheev Institute of Metal Physics of Ural Branch of Russian Academy of Sciences, 18, S. Kovalevskaya Street, 620990 Ekaterinburg, Russia

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Issue

Vol. 93, Iss. 20 — 15 May 2016

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