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arXiv 1802.10068cond-mat.str-el
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强关联系统的有效海森堡模型和交换作用

Effective Heisenberg model and exchange interaction for strongly correlated systems

E. A. Stepanov, S. Brener, F. Krien, M. Harland, A. I. Lichtenstein, M. I. Katsnelson

摘要:

我们考虑了扩展的哈伯德模型,并引入了相应的类海森堡问题的自旋算符。派生的形式主义是让人想起安德森的想法的有效交换相互作用,并考虑到非局部相关效应。交换相互作用和磁化率的结果表示在单粒子的数量,这可以有效地获得在多频带系统的实际计算。在强自旋极化极限下,当局部磁矩定义明确时,交换相互作用简化为密度泛函理论的标准表达式,该理论已成功地用于实际材料磁性的实际计算。

英文摘要:

We consider the extended Hubbard model and introduce a corresponding Heisenberg-like problem written in terms of spin operators. The derived formalism is reminiscent of Anderson's idea of the effective exchange interaction and takes into account nonlocal correlation effects. The results for the exchange interaction and magnetic susceptibility are expressed in terms of single-particle quantities, which can be obtained efficiently in realistic calculations of multiband systems. In the strongly spin-polarized limit, when the local magnetic moment is well-defined, the exchange interaction reduces to a standard expression of the density functional theory that has been successfully used in practical calculations of magnetic properties of real materials.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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