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- W2085295263 abstract "Two band-structure calculations of Eu2O3 are performed, one of them in the metallic phase and the other in the semiconducting phase; the difference between the corresponding band Hamiltonians is the occupation potential U (r) that includes the Coulomb correlation effects. In both phases, the 4f occupied bands are mixed with the 2p bands; this fact broadens these 4f bands so that its calculation is possible in this complex crystal lattice T. In the semiconducting band structure, the 4f empty bands are localized in the d-zone energy showing (4f, 5d) hybridization that produces a broadening still greater than for the 4f occupied bands. The semiconducting gap is Γ – H and its value is 3.7 eV. On a realisé deux calculs de la structure des bandes du composé Eu2O3: l'un correspondant à la phase métallique et l'autre à la phase semiconductrice. La différence des calculs se traduit par l'addition du potentiel d'occupation U(r) que tient compte des effects de correlation coulombienne. On trouve que les bandes occupées 4f sont melangées avec les états 2p, ce qui produit un élargissement des bandes 4f, qu'on a pu à calculer. De měme, dans le calcul de la phase semiconductrice on trouve les états 4f hybrides avec les états 5d, ce qui produit un élargissement des états 4f plus important qui célui correspondant aux états de la bande de valence. La gap du semiconducteur c'est 3,7 eV et correspond à la transition Γ – H." @default.
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- W2085295263 date "1982-06-01" @default.
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- W2085295263 title "Coulomb (or Strong) Correlation Effects in the Band Structure of Eu2O3" @default.
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- W2085295263 doi "https://doi.org/10.1002/pssb.2221110230" @default.
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