Electronic Structure of the Ce Systems I. General Theory

F. López‐Aguilar; J. Costa‐Quintana

doi:https://doi.org/10.1002/pssb.2221370214

Electronic Structure of the Ce Systems I. General Theory

F. López‐Aguilar, J. Costa‐Quintana

Department of Physics

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

4 Citations (Scopus)

Abstract

A model is deduced for the electronic structure of the Ce systems. It includes a pseudopotential which considers the strong correlation effects due to the fluctuation of the number of f‐electrons in the Ce atoms. The pseudopotential affects the f‐symmetries according to their own occupations and is different from zero when the f‐states are spd/f hybridized. The APW method is modified in order to introduce the pseudopotential within the band structure Hamiltonian. Finally, the so‐called „three‐peak” 4f structure which appears in the Ce systems is analyzed with our model. Copyright © 1986 WILEY‐VCH Verlag GmbH & Co. KGaA

Original language	English
Pages (from-to)	533-539
Journal	physica status solidi (b)
Volume	137
DOIs	https://doi.org/10.1002/pssb.2221370214
Publication status	Published - 1 Jan 1986

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abstract = "A model is deduced for the electronic structure of the Ce systems. It includes a pseudopotential which considers the strong correlation effects due to the fluctuation of the number of f‐electrons in the Ce atoms. The pseudopotential affects the f‐symmetries according to their own occupations and is different from zero when the f‐states are spd/f hybridized. The APW method is modified in order to introduce the pseudopotential within the band structure Hamiltonian. Finally, the so‐called „three‐peak” 4f structure which appears in the Ce systems is analyzed with our model. Copyright {\textcopyright} 1986 WILEY‐VCH Verlag GmbH & Co. KGaA",

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N2 - A model is deduced for the electronic structure of the Ce systems. It includes a pseudopotential which considers the strong correlation effects due to the fluctuation of the number of f‐electrons in the Ce atoms. The pseudopotential affects the f‐symmetries according to their own occupations and is different from zero when the f‐states are spd/f hybridized. The APW method is modified in order to introduce the pseudopotential within the band structure Hamiltonian. Finally, the so‐called „three‐peak” 4f structure which appears in the Ce systems is analyzed with our model. Copyright © 1986 WILEY‐VCH Verlag GmbH & Co. KGaA

AB - A model is deduced for the electronic structure of the Ce systems. It includes a pseudopotential which considers the strong correlation effects due to the fluctuation of the number of f‐electrons in the Ce atoms. The pseudopotential affects the f‐symmetries according to their own occupations and is different from zero when the f‐states are spd/f hybridized. The APW method is modified in order to introduce the pseudopotential within the band structure Hamiltonian. Finally, the so‐called „three‐peak” 4f structure which appears in the Ce systems is analyzed with our model. Copyright © 1986 WILEY‐VCH Verlag GmbH & Co. KGaA

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DO - https://doi.org/10.1002/pssb.2221370214

M3 - Article

VL - 137

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EP - 539

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