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Journal of Magnetism and Magnetic Materials

Self-energy corrections to the electronic spectrum of the Hubbard model

Adolfo Avella, S. Krivenko, Francesco Paolo Mancini, Nikolay M. Plakida

Published Mar 6, 2004• 13 citations
Publisher
DOI
10.1016/j.jmmm.2003.12.1378

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Svane and Gunnarsson's method of the self-interaction corrected local-spin-density approximation (SIC-LSDA) in the density-functional theory was applied to the one-dimensional Hubbard model and the two-dimensional pd Hubbard model in order to study the one particle energy spectrum. The calculated energy band in the SIC-LSDA gives a reasonable band gap in contrast to serious underestimation of it by the LSDA and slight overestimation by the Hartree-Fock approximation. Behavior of SIC localized orbitals is also discussed.