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

F. López‐Aguilar; J. Costa‐Quintana; J. S. Muñoz

doi:https://doi.org/10.1002/pssb.2221110230

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

F. López‐Aguilar, J. Costa‐Quintana, J. S. Muñoz

Department of Physics

Research output: Contribution to journal › Article › Research › peer-review

5 Citations (Scopus)

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 language	English
Pages (from-to)	659-669
Journal	physica status solidi (b)
Volume	111
DOIs	https://doi.org/10.1002/pssb.2221110230
Publication status	Published - 1 Jan 1982

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López‐Aguilar, F., Costa‐Quintana, J., & Muñoz, J. S. (1982). Coulomb (or Strong) Correlation Effects in the Band Structure of Eu<inf>2</inf>O<inf>3</inf> physica status solidi (b), 111, 659-669. https://doi.org/10.1002/pssb.2221110230

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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 {\textcopyright} 1982 WILEY‐VCH Verlag GmbH & Co. KGaA",

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AB - 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

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DO - https://doi.org/10.1002/pssb.2221110230

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