Calculation of magnetic exchange interactions in Mott-Hubbard systems

被引：75
作者：
Wan, Xiangang
Yin, Quan
Savrasov, Sergej Y.
机构：
[1] Univ Calif Davis, Dept Phys, Davis, CA 95616 USA
[2] Nanjing Univ, Natl Lab Solid State Microstruct, Nanjing 210093, Peoples R China
[3] Nanjing Univ, Dept Phys, Nanjing 210093, Peoples R China
来源：
PHYSICAL REVIEW LETTERS | 2006年 / 97卷 / 26期
基金：
美国国家科学基金会;
关键词：
D O I：
10.1103/PhysRevLett.97.266403
中图分类号：
O4 [物理学];
学科分类号：
0702 ;
摘要：
An efficient method of computing magnetic exchange interactions in systems with strong correlations is introduced. It is based on a magnetic force theorem that evaluates linear response due to rotations of magnetic moments and uses a generalized spectral density functional framework allowing us to explore several approximations ranging from local density functional to exact diagonalization based dynamical mean field theory. Applications to spin waves and magnetic transition temperatures of 3d metal mono-oxides as well as high-T-c superconductors are in good agreement with experiment.
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页数：4
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