Coulomb (or Strong) Correlation Effects in the Band Structure of Eu<inf>2</inf>O<inf>3</inf>

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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 h7. 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 1+ – H 1− and its value is 3.7 eV. Copyright © 1982 WILEY‐VCH Verlag GmbH & Co. KGaA
Original languageEnglish
Pages (from-to)659-669
Journalphysica status solidi (b)
Volume111
DOIs
Publication statusPublished - 1 Jan 1982

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