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Calculations of Magnetic Exchange Interactions in Mott--Hubbard Systems

Xiangang Wan·Quan Yin·Sergej Y. Savrasov
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Abstract

An efficient method to compute magnetic exchange interactions in systems with strong correlations is introduced. It is based on a magnetic force theorem which evaluates linear response due to rotations of magnetic moments and uses a novel spectral density functional framework combining our exact diagonalization based dynamical mean field and local density functional theories. 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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Xiangang Wan, Quan Yin, Sergej Y. Savrasov. 2006-09-01. Calculations of Magnetic Exchange Interactions in Mott--Hubbard Systems. https://doi.org/10.1103/physrevlett.97.266403

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