Magnetic properties of Fe${}_{1-x}$Ni${}_x$ alloy from CPA+DMFT perspectives

Abstract

We use a combination of the coherent potential approximation and dynamical mean field theory to study magnetic properties of the Fe${}_{1-x}$Ni${}_x$ alloy from a 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 function of nickel concentration follow the same trends as experimental data. An analysis of the ionic and spin weights shows a possibility of a high-spin to intermediate- and low-spin states transitions at high temperatures.

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Cited by in corpus (3)

• Local force method for the ab initio tight-binding model with spin-dependent hopping
• Random iron-nickel alloys: From first principles to dynamic spin fluctuation theory
• Wannier-based implementation of the coherent potential approximation with applications to Fe-based transition-metal alloys