Theory of the two peak photoemission spectra in cerium compounds

M. R. Norman, D. D. Koelling, Arthur J Freeman

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Abstract

Considerable controversy has centered on the origin of the observed two peak structure in photoemission from Ce compounds. We report results of theoretical studies of the Ce pnictides using a model based on competing screening mechanisms. It is assumed that the peak near EF arises from complete screening of the 4f hole via repopulation of the f orbital on the hole site so its contribution to the spectrum follows the ground state density of states. The second peak 2-3 eV lower in energy is viewed as being due to a poorly screened f-hole. This screening process is studied by means of self-consistent LAPW supercell calculations. In CeSb we find a peak separation of 2.71 eV compared to an experimental value of 2.5 eV, whereas in CeP we find a separation of 2.47 eV compared to 2.4 eV experiment. The poorly screened peak results primarily from d-orbital screening of the hole.

Original languageEnglish
Pages (from-to)61-63
Number of pages3
JournalPhysica B+C
Volume130
Issue number1-3
DOIs
Publication statusPublished - 1985

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Cerium compounds
Photoemission
Screening
Ground state
Experiments

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Theory of the two peak photoemission spectra in cerium compounds. / Norman, M. R.; Koelling, D. D.; Freeman, Arthur J.

In: Physica B+C, Vol. 130, No. 1-3, 1985, p. 61-63.

Research output: Contribution to journalArticle

Norman, M. R. ; Koelling, D. D. ; Freeman, Arthur J. / Theory of the two peak photoemission spectra in cerium compounds. In: Physica B+C. 1985 ; Vol. 130, No. 1-3. pp. 61-63.
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