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.
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页数：7
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