Spectral density functional approach to electronic correlations and magnetism in crystals

Details Spectral density functional approach to electronic correlations and magnetism in crystals Spectral density functional approach to electronic correlations and magnetism in crystals

2002-11-05

arxiv.org/abs/cond-mat/0211076v1

Physics

Condensed Matter

Strongly Correlated Electrons

37 pages, to be published in: "Electron Correlations and Materials Properties 2" ed. by A. Gonis (Kluwer, NY)

Scientific paper

A novel approach to electronic correlations and magnetism of crystals based on realistic electronic structure calculations is reviewed. In its simplest form it is a combination of the ``local density approximation'' (LDA) and the dynamical mean field theory (DMFT) approaches. Using numerically exact QMC solution to the effective DMFT multi-orbital quantum-impurity problem, a successful description of electronic structure and finite temperature magnetism of transition metals has been achieved. We discuss a simplified perturbation LDA+DMFT scheme which combines the T-matrix and fluctuation-exchange approximation (TM-FLEX). We end with a discussion of cluster generalization of the non-local DMFT scheme and its applications to the magnetism and superconductivity of high-Tc superconductors.

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