TY - JOUR
T1 - Theory of the two peak photoemission spectra in cerium compounds
AU - Norman, M. R.
AU - Koelling, D. D.
AU - Freeman, A. J.
N1 - Funding Information:
This work was supported by the U.S. Departmento f Energy and the U.S. Air Force Office of Research (Grant No. 81-0024).
PY - 1985/5
Y1 - 1985/5
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
AN - SCOPUS:45949131447
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 -