The electronic structures of the rutile dioxides ${\mathrm{NbO}}_2$, ${\mathrm{RuO}}_2$, and ${\mathrm{IrO}}_2$ have been determined from self-consistent semirelativistic linear muffin-tin-orbital band calculations. The basis set is completed with s and p functions from ‘‘empty spheres’’ inserted in the open parts of the structure. The band results are analyzed in terms of Fermi-surface features, band positions, x-ray photoemission spectra, and joint density-of-state functions. Comparisons with available experimental data are, in general, favorable. In particular, the effects from self-consistency are pointed out by comparison with earlier non-self-consistent band results.

• Received 5 June 1989

DOI:https://doi.org/10.1103/PhysRevB.40.7939