English

Calculations of Magnetic Exchange Interactions in Mott--Hubbard Systems

Strongly Correlated Electrons 2007-05-23 v1 Materials Science

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.

Keywords

Cite

@article{arxiv.cond-mat/0609006,
  title  = {Calculations of Magnetic Exchange Interactions in Mott--Hubbard Systems},
  author = {Xiangang Wan and Quan Yin and Sergej Y. Savrasov},
  journal= {arXiv preprint arXiv:cond-mat/0609006},
  year   = {2007}
}