Generalization of the iterative perturbation theory and metal-insulator transition in multi-orbital Hubbard bands

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The iterative perturbation theory of the dynamical mean field theory is generalized to arbitrary electron occupation in case of multi-orbital Hubbard bands. We present numerical results of doubly degenerate Eg bands in a simple cubic lattice. The spectrum shows the electron ionization and affinity levels of different electron occupations. For sufficiently large Coulomb integral, a gap opens in the spectrum at integer filling of electrons and the system becomes insulator. The present scheme is easy to combine with the LSDA electronic structure theory.
4 pages 2 figures

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Strongly Correlated Electrons

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http://salesiana.dossiersoluciones.com/handle/123456789/143624

Consulte el texto completo en el siguiente enlace:

https://arxiv.org/abs/cond-mat/0211159
 http://arxiv.org/abs/cond-mat/0211159
 J. Phys. Soc. Jpn., 72, 777-780 (2003)
 doi:10.1143/JPSJ.72.777

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arXiv