Phys. Rev. Lett. 97, 266403 (2006) [4 pages]Calculation of Magnetic Exchange Interactions in Mott-Hubbard SystemsReceived 31 August 2006; published 27 December 2006 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-Tc superconductors are in good agreement with experiment. © 2006 The American Physical Society URL:
http://link.aps.org/doi/10.1103/PhysRevLett.97.266403
DOI:
10.1103/PhysRevLett.97.266403
PACS:
71.27.+a, 71.15.−m, 75.10.−b, 75.30.Et
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