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 language | English |
|---|---|
| Pages (from-to) | 61-63 |
| Number of pages | 3 |
| Journal | Physica B+C |
| Volume | 130 |
| Issue number | 1-3 |
| DOIs | |
| Publication status | Published - 1985 |
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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 journal › Article
}
TY - JOUR
T1 - Theory of the two peak photoemission spectra in cerium compounds
AU - Norman, M. R.
AU - Koelling, D. D.
AU - Freeman, Arthur J
PY - 1985
Y1 - 1985
N2 - 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.
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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U2 - 10.1016/0378-4363(85)90184-6
DO - 10.1016/0378-4363(85)90184-6
M3 - Article
VL - 130
SP - 61
EP - 63
JO - Physica B: Physics of Condensed Matter & C: Atomic, Molecular and Plasma Physics, Optics
JF - Physica B: Physics of Condensed Matter & C: Atomic, Molecular and Plasma Physics, Optics
SN - 0378-4363
IS - 1-3
ER -