Photoemission spectra and band structures of d-band metals. III. Model band calculations on Rh, Pd, Ag, Ir, Pt, and Au

Neville V. Smith
Phys. Rev. B 9, 1365 – Published 15 February 1974
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Abstract

Model band structures are constructed for Rh, Pd, Ag, Ir, Pt, and Au using a combined interpolation scheme. Spin-orbit coupling and other relativistic corrections are included. The energy distributions of the joint densities of states (EDJDOS) are calculated using quadratic interpolation and a Monte Carlo sampling of k space. Extensive numerical results are presented. A strong resemblance is found between the variation of the profile of the EDJDOS with photon energy and the profile changes seen in experimental photoemission spectra. This has been used to make empirical adjustments to the widths of the d bands in some of the model band structures.

  • Received 21 May 1973

DOI:https://doi.org/10.1103/PhysRevB.9.1365

©1974 American Physical Society

Authors & Affiliations

Neville V. Smith

  • Bell Laboratories, Murray Hill, New Jersey 07974

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Vol. 9, Iss. 4 — 15 February 1974

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