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High-Resolution X-Ray Photoemission Spectrum of the Valence Bands of Gold

High-Resolution X-Ray Photoemission Spectrum of the Valence Bands of Gold High-resolution gold-valence-band photoemission spectra were obtained by the use of monochromatized Al K α 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. http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Physical Review B American Physical Society (APS)

High-Resolution X-Ray Photoemission Spectrum of the Valence Bands of Gold

Physical Review B , Volume 5 (12) – Jun 15, 1972
6 pages

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References (5)

Publisher
American Physical Society (APS)
Copyright
© American Physical Society
ISSN
0556-2805
DOI
10.1103/PhysRevB.5.4709
Publisher site
See Article on Publisher Site

Abstract

High-resolution gold-valence-band photoemission spectra were obtained by the use of monochromatized Al K α 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.

Journal

Physical Review BAmerican Physical Society (APS)

Published: Jun 15, 1972

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