Magnetic properties of Fe1-xNix alloy from CPA plus DMFT perspectives

被引：9

作者：

Poteryaev, Alexander I. ^{[1
]}

Skorikov, Nikolay A. ^{[1
]}

Anisimov, Vladimir I. ^{[1
]}

Korotin, Michael A. ^{[1
]}

机构：

[1] Russian Acad Sci, MN Miheev Inst Met Phys, Ural Branch, 18 S Kovalevskaya St, Ekaterinburg 620990, Russia

来源：

PHYSICAL REVIEW B | 2016年 / 93卷 / 20期

基金：

俄罗斯科学基金会;

关键词：

MEAN-FIELD THEORY; STRONGLY CORRELATED MATERIALS; QUANTUM IMPURITY MODELS; IRON-NICKEL ALLOYS; SYSTEMS; APPROXIMATION; DIMENSIONS; ORIGIN; METAL; NI;

D O I：

10.1103/PhysRevB.93.205135

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

We use a combination of the coherent potential approximation and dynamical mean field theory to study magnetic properties of the Fe1-x Ni-x alloy from first principles. Calculated uniform magnetic susceptibilities have a Curie-Weiss-likebehavior, 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.

引用

页数：7

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