1999/04/29 by M. I. Katsnelson, A. I. Lichtenstein · 1 citation
Physics and Astronomy · #cond-mat.str-el
paper · pdf · doi:10.1103/physrevb.61.8906
17 pages, 3 Postscript figures
arxiv created 1999/04/29 · arxiv updated 2009/11/30
We present a novel approach to calculate the effective exchange interaction parameters based on the realistic electronic structure of correlated magnetic crystals in local approach with the frequency dependent self energy. The analog of ``local force theorem'' in the density functional theory is proven for highly correlated systems. The expressions for effective exchange parameters, Dzialoshinskii- Moriya interaction, and magnetic anisotropy are derived. The first-principle calculations of magnetic excitation spectrum for ferromagnetic iron, with the local correlation effects from the numerically exact QMC-scheme is presented.