1972/06/15 by D. A. Shirley · 14 citations
Materials Science · Physics and Astronomy · #Electron and X-Ray Spectroscopy Techniques #Surface and Thin Film Phenomena #X-ray Spectroscopy and Fluorescence Analysis
paper · doi:10.1103/physrevb.5.4709
High-resolution gold-valence-band photoemission spectra were obtained by the use of monochromatized Al K\ensuremathα radiation and a single-crystal specimen. After background and scattering corrections were made, the results were compared directly with broadened theoretical density-of-states functions. The following conclusions were drawn: (i) Relativistic band-structure calculations are required to fit the spectrum. (ii) Both the Korringa-Kohn-Rostoker calculation of Connolly and Johnson and the relativistic-augmented-plane-wave calculation by Christensen and Seraphin give density-of-states results that (after broadening) follow the experimental curve closely. (iii) Of the theoretical functions available to date, those with full Slater exchange agree best with experiment (perhaps because of a cancellation of errors). Fractional ((2)/(3) or (5)/(6)) exchange gives d bands that are too wide. (iv) Eastman's 40.8-eV ultraviolet photoemission spectrum is similar to the x-ray spectrum, suggesting little dependence on photon energy above 40 eV. (v) Both (ii) and (iv) imply an absence of strong matrix-element modulation in the photoemission spectrum of gold.