Rotationally invariant exchange interaction: The case of paramagnetic iron

被引：26

作者：

Anisimov, V. I. ^{[1
,2
]}

Belozerov, A. S. ^{[1
,2
]}

Poteryaev, A. I. ^{[1
]}

Leonov, I. ^{[3
]}

机构：

[1] Russian Acad Sci, Inst Met Phys, Ekaterinburg 620990, Russia

[2] Ural Fed Univ, Ekaterinburg 620990, Russia

[3] Univ Augsburg, Ctr Elect Correlat & Magnetism, Inst Phys, D-86135 Augsburg, Germany

来源：

PHYSICAL REVIEW B | 2012年 / 86卷 / 03期

基金：

俄罗斯基础研究基金会;

关键词：

ELECTRONIC-STRUCTURE CALCULATIONS; CORRELATED SYSTEMS; PRESSURE; ORBITALS; DENSITY;

D O I：

10.1103/PhysRevB.86.035152

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

We present a generalization of the spin-fluctuation theory of magnetism which allows us to treat the full rotational invariance of the exchange interaction. The approach is formulated in terms of the local density approximation plus dynamical mean-field theory (LDA + DMFT), providing a systematic many-body treatment of the effect of spin-density fluctuations. This technique is employed to study the electronic and magnetic properties of paramagnetic a iron. Our result for the Curie temperature is in good agreement with experiment, while the calculations with the Ising-type exchange interaction yield almost twice the overestimated value.

引用

页数：5

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