Surface electronic structure of rhodium (100)

The electronic structure of the (100) surface of rhodium has been calculated theoretically using the self-consistent local-orbital method. As in our earlier calculations on $d$-band metal surfaces [Cu(100), Ni(100), Pd(100), and Ag(100)] we find a large percentage of the surface electrons of Rh(100) are in surface states. In addition to presenting the band structure and total densities of states (DOS), we analyze the Rh(100) electronic structure in a new fashion by calculating annular densities of states. These annular densities of states, which are the appropriate quantities to compare with photoemission data collected by cylindrical mirror analyzers (CMA), show distinctive features related to the restricted regions of ${\overrightarrow{\mathrm{k}}}_{\parallel }$ space which they sample. The results suggest that considerable care must be taken in comparing CMA spectra with DOS. ${\overrightarrow{\mathrm{k}}}_{\parallel }$-selected densities of states (DOS) are given for ${\overrightarrow{\mathrm{k}}}_{\parallel }$ along the $\overline{\Gamma }-\overline{X}\mathrm{}\left[110\right]\mathrm{}$ and $\overline{\Gamma }-\overline{M}\mathrm{}\left[100\right]\mathrm{}$ directions. The strong variation of the ${\overrightarrow{\mathrm{k}}}_{\parallel }$-selected DOS with ${\overrightarrow{\mathrm{k}}}_{\parallel }$ shows that a large part of the variation of surface-state peak heights with angle in angular photoemission can be due to initial DOS variation. The strong DOS variation with mirror plane symmetry shows that it is important to use polarized light.