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Classification of the electronic correlation strength in the Fe-pnictides: The case of the parent compound BaFe2As2
S. L. Skornyakov, A. V. Efremov, N. A. Skorikov +5
Electronic correlations in the Fe-pnictide BaFe2As2 are explored within LDA+DMFT, the combination of density functional theory with dynamical mean-field theory. While the correlate…
Pressure-Driven Metal-Insulator Transition in Hematite from Dynamical Mean-Field Theory
J. Kunes, Dm. M. Korotin, M. A. Korotin +2
The Local Density Approximation combined with Dynamical Mean-Field Theory (LDA+DMFT method) is applied to the study of the paramagnetic and magnetically ordered phases of hematite…
Coulomb Parameter U and Correlation Strength in LaFeAsO
V. I. Anisimov, Dm. M. Korotin, S. V. Streltsov +4
First principles constrained density functional theory scheme in Wannier functions formalism has been used to calculate Coulomb repulsion U and Hund's exchange J parameters for iro…