D-band states

Similarly, the highest-lying d-band state was determined by. setting the value equal... 

The change in magnetic properties of Pd induced by Fe addition results from modifications in the d-band, probably due to an increase of the density of states at the Fermi level, in accord with Eq. (5). Chemisorption and catalytic properties, closely related to the d-band state, are also probably perturbed. 

This was correlated by van Engen et al. with an increasing band width of the d-states of the Y component in Co2YSn. Inspection of the results in fig. 32 shows that there is a substantial difference in intensity of the spectra. This was ascribed by the authors to originate from the large differences in spin-orbit splitting of the hybridized d-band states of the Y component. 

Fig. 7. The experimental surface band structure of an ordered Gd(OOOl) film on W(110) from T-M of the surface Brillouin zone. The data were reduced from fig. 6 and taken from Dongqi Li et al. (1991a). The increasing density of bulk band states near M is evident from the width of the d-band states near the Fermi energy as a function of Aj, as plotted in the top panel.

Fig. 7. Comparison of a calculated density of states (DOS) (Cabus 1983) and the experimental result for LaNij. Although the Ni d-band is cut by fip, the BIS spectrum does not show a peak at p. The structure at 1.8eV is a split-off d-band state (Hillebrecht et al. 1983b). The position of the f-states is calculated significantly lower (3.8eV) than found in experiment (6.5eV).

In fig. 9 the BIS spectra of several Ln-Pds compounds are shown, where the split-off d-band state is visible in the range 2.8 to 3eV above p. These results indicate that compound formation can lead to new structures in the density of states making the 4f derived feature somewhat more difficult to be identified. 

Fig. 9. BIS spectra for some lanthanide-Pdj compounds, showing the split-off d-band state (see arrow). Contamination by residual gases in the spectrometer shifts and broadens the 4f-state by about 2eV in RPdj and the d-band state becomes visible (see full line, PrPd3). Data for LuPdj are from Laubschat et al. (1984).

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