Xiangang Wan,1,2 Quan Yin,1 and Sergej Y. Savrasov1
Department of Physics, University of California, Davis, One Shields Avenue, Davis, California 95616, USA
2 National Laboratory of Solid State Microstructures and Department of Physics, Nanjing University, Nanjing 210093, China
(Received 31 August 2006; published 27 December 2006)
Abstract:
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 monooxides as well as high-Tc superconductors are in good agreement with experiment.
To download the article click on the link below:
http://savrasov.physics.ucdavis.edu/Works/Publications/TNeel.pdf
Department of Physics, University of California, Davis, One Shields Avenue, Davis, California 95616, USA
2 National Laboratory of Solid State Microstructures and Department of Physics, Nanjing University, Nanjing 210093, China
(Received 31 August 2006; published 27 December 2006)
Abstract:
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 monooxides as well as high-Tc superconductors are in good agreement with experiment.
To download the article click on the link below:
http://savrasov.physics.ucdavis.edu/Works/Publications/TNeel.pdf
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