Dynamical Mean-Field Theory and Its Applications to Real Materials

Details Dynamical Mean-Field Theory and Its Applications to Real Materials Dynamical Mean-Field Theory and Its Applications to Real Materials

2004-08-12

arxiv.org/abs/cond-mat/0408266v2

J. Phys. Soc. Jpn. 74, 136 (2005)

Physics

Condensed Matter

Strongly Correlated Electrons

20 pages, 9 figures, invited paper for the JPSJ Special Issue "Kondo Effect - 40 Years after the Discovery"; final version, re

Scientific paper

10.1143/JPSJ.74.136

Dynamical mean-field theory (DMFT) is a non-perturbative technique for the investigation of correlated electron systems. Its combination with the local density approximation (LDA) has recently led to a material-specific computational scheme for the ab initio investigation of correlated electron materials. The set-up of this approach and its application to materials such as (Sr,Ca)VO_3, V_2O_3, and Cerium is discussed. The calculated spectra are compared with the spectroscopically measured electronic excitation spectra. The surprising similarity between the spectra of the single-impurity Anderson model and of correlated bulk materials is also addressed.

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