Magnetic properties of Fe_(1-x)Ni_x alloy from CPA+DMFT perspectives

摘要

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 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.