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- W2017990061 abstract "Following a prescription by Ehrenreich and Hodges, a relativistic band structure for Au has been constructed by the insertion of spin-orbit coupling into an originally nonrelativistic interpolation scheme. The bands are used to compute the energy distribution of the joint density of states $D(E, ensuremath{hbar}ensuremath{omega})$ and its second derivative with respect to energy ${D}^{ensuremath{'}ensuremath{'}}(E, ensuremath{hbar}ensuremath{omega})$. Peaks in $ensuremath{-}{D}^{ensuremath{'}ensuremath{'}}(E, ensuremath{hbar}ensuremath{omega})$ are found to correlate quite well in energy location with structure in experimental higher-derivative photoelectron-energy spectra measured on cesiated Au. The comparison is made with previous data and with supplementary spectra presented here. Profile changes in the experimental spectra on varying the photon energy $ensuremath{hbar}ensuremath{omega}$ are also reasonably well accounted for. The density of states computed from the same band structure shows $d$-band peaks at 2.65, 4.00, 4.50, 5.05, 6.35, 6.85, and 7.60 eV below the Fermi level. From the derivative spectra at the lower photon energies, the ${L}_{6}^{ensuremath{-}}({L}_{{2}^{ensuremath{'}}})ensuremath{rightarrow}{L}_{6}^{+}({L}_{1})$ band gap in Au is estimated to be 4.0 eV." @default.
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- W2017990061 title "Higher-Derivative Photoemission Spectra and the Relativistic Band Structure of Gold" @default.
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