Electronic structure of gold: An angle-resolved photoemission study along the Lambda line.

Abstract

High-resolution normal-photoemission spectra were recorded for Au(111) with use of synchrotron radiation with photons in the energy range 9 eV\ensuremath{\le}h\ensuremath{\nu}\ensuremath{\le}27 eV. Exploiting direct-transition intensity resonances on h\ensuremath{\nu} and using results from other measurements, we were able to determine reliable final-state bands along the \ensuremath{\Gamma}\ensuremath{\Lambda}L direction up to 18 eV above the Fermi energy and to derive the dispersion of the corresponding occupied d bands. Independent of energy, the experimental final-state bands deviate by about +0.7 eV from a recent density-functional-theory calculation performed by Eckardt, Fritsche, and Noffke [J. Phys. F 14, 97 (1984)]. The experimental valence bands deviate by about -0.30 eV from theory. Measured critical-point energies (in eV; band indices in parentheses) are E(${\ensuremath{\Gamma}}_{8}^{+}$(2,3))=-6.01 \ifmmode\pm\else\textpm\fi{}0.02, E(${\ensuremath{\Gamma}}_{7}^{+}$(4))=-4.68\ifmmode\pm\else\textpm\fi{}0.05, E(${\ensuremath{\Gamma}}_{8}^{+}$(5,6))=-3.71 \ifmmode\pm\else\textpm\fi{}0.02, E(${\ensuremath{\Gamma}}_{7}^{\mathrm{\ensuremath{-}}}$(7))=16.0\ifmmode\pm\else\textpm\fi{}0.1, E(${L}_{4}$,${5}^{+}$(2))=-6.2\ifmmode\pm\else\textpm\fi{} 0.1, E(${L}_{6}^{+}$(3))=-5.0\ifmmode\pm\else\textpm\fi{}0.1, E(${L}_{6}^{+}$(4)) =-3.1\ifmmode\pm\else\textpm\fi{}0.1, and E(${L}_{4}$,${5}^{+}$(5))=-2.3\ifmmode\pm\else\textpm\fi{} 0.2.