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Phys. Rev. Lett. 56, 2744–2747 (1986)

Towards a Self-Consistent Determination of the Mixing Parameters in the Anderson Model: An Application to the 4f-Excitation Spectra of YbP

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R. Monnier and L. Degiorgi
Laboratorium für Festkörperphysik, Eidgenössische Technische Hochschule-Hönggerberg, CH-8093 Zürich, Switzerland

D. D. Koelling
Argonne National Laboratory, Argonne, Illinois 60439

Received 20 December 1985; published in the issue dated 23 June 1986

A method is presented for computing the mixing parameters in the Anderson model for heavyrare-earth compounds, based on a linear combination of atomic orbitals fit to a self-consistent band-structure calculation. An appropriate average of these parameters is used in a many-body calculation of the valence-band x-ray-photoemission and inverse-photoemission spectra of YbP, with the Coulomb integral U as the only adjustable quantity. The calculated inverse-photoemission spectrum agrees qualitatively with room-temperature low-resolution data by Baer et al.

© 1986 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevLett.56.2744
DOI:
10.1103/PhysRevLett.56.2744
PACS:
75.20.Hr, 79.20.Kz, 79.60.Cn