2002/11/08 by Takeo Fujiwara, Susumu Yamamoto, Yasushi Ishii · 1 citation
Materials Science · Physics and Astronomy · #Advanced Chemical Physics Studies #Magnetic and transport properties of perovskites and related materials #Physics of Superconductivity and Magnetism #cond-mat.str-el
paper · pdf · doi:10.1143/jpsj.72.777
published as J. Phys. Soc. Jpn., 72, 777-780 (2003) · 4 pages 2 figures
arxiv created 2002/11/08 · openalex publication_date 2003/04/15 · arxiv updated 2009/11/30 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28
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.