Theory of the two peak photoemission spectra in cerium compounds

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

doi:10.1016/0378-4363(85)90184-6

Theory of the two peak photoemission spectra in cerium compounds

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

Northwestern University

Research output: Contribution to journal › Article

7 Citations (Scopus)

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 E_F 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 language	English
Pages (from-to)	61-63
Number of pages	3
Journal	Physica B+C
Volume	130
Issue number	1-3
DOIs	https://doi.org/10.1016/0378-4363(85)90184-6
Publication status	Published - 1985

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Norman, M. R., Koelling, D. D., & Freeman, A. J. (1985). Theory of the two peak photoemission spectra in cerium compounds. Physica B+C, 130(1-3), 61-63. https://doi.org/10.1016/0378-4363(85)90184-6

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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.",

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AB - 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.

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