Calculation of magnetic exchange interactions in Mott-Hubbard systems.
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.
Wan
Xiangang
X
Department of Physics, University of California, Davis, One Shields Avenue, Davis, California 95616, USA.
Yin
Quan
Q
Savrasov
Sergej Y
SY