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Band structure measurements and multi‐electron effects (satellites) for nearly‐filled d‐band metals: Fe, Co, Ni, Cu, Ru, and Pd (invited)
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33.All d‐band widths have been taken from angle‐resolved photoelectron spectrsocopy (ARPES) data for critical points. This avoids uncertainties introduced by the lifetime broadening for density‐of‐states‐type XPS‐data. Due to the lack of complete ARPES data sets, some critical points had to be scaled to obtain a good measure of the full occupied d‐band width. For Fe, from Ref. 13 (see Fig. 4) has been scaled to obtain the full d‐band width by using the calculation in Ref. 2. For Co, is obtained from Ref. 14 (see Fig. 3). For Ni is the average between and and has been obtained from Refs. 16, 17, For Cu is obtained from Ref. 21 For Ru, is obtained from Ref. 22. For Pd, has been scaied from the experimental value of in Ref. 23 by using the calculation in Ref. 2.
34.The satellite intensities and lineshapes are obtained in two ways: (i) By comparing the density of states with XPS‐spectra (see, e.g., Ref. 35); (ii) By using the resonance of the satellite intensity at the 3p‐threshold (see Refs. 36–38) to obtain accurate lineshapes and by using these lineshapes to get the satellite intensities off resonance. Methods (i) and (ii) give consistent satellite intensities. However, large error limits are introduced by subtracting the background of secondary electrons. For determining U in Co, Ni, Cu and Pd, the centers of gravity of the satellite multiplet and of the occupied d‐band were used. For we scaled the centers of gravity of calculated densities of states (2) to the experimental d‐band widths. For Fe and Ru, the satellites are too weak to be detected and Auger data have been used to estimate U (see Ref. 39). The XPS‐data used for method (i) are from Refs. 35 (Fe, Co, Pd), 42 (Ni, Cu), 40 (Ru), and 41 (Pd). The UPS resonance data used for method (ii) are from Refs. 37 (Ni, Cu) and 38 (Co, Ni, Cu,Pd). Auger values for U are from Ref. 39 (Fe) and from our unpublished data for Co and Ru. We obtain for the centers of gravity of the satellite multiplet and the centers of the d‐bands: (Co), 5 eV (Ni), 14 eV (Cu) and 7 eV (Pd) and (Fe), 1.8 eV (Co), 1.5 eV (Ni), 3.3 eV (Cu), 2.8 eV (Ru), 2.3 eV (Pd).
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38.Koch E. E., Himpsel F. J., Iwan M., Eastman D. E., to be published.
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