UNOCCUPIED ELECTRON-STATES OF TIS2 STUDIED BY MEANS OF POLARIZED X-RAY-ABSORPTION

Using polarized x-ray-absorption spectroscopy along with band-structur e and real-space multiple-scattering calculations, we have studied uno ccupied states of TiS2. With respect to titanium and sulfur sites, the local angular momentum projections of the density of states are prese nted for states up to 25 eV above the Fermi level. Good agreement betw een experiment and theory suggests that quadrupole (1s --> d) transiti ons in Ti K absorption are negligible compared to dipole(1s --> p) tra nsitions. We have applied a new technique for construction of pseudopo tentials adapted to the chemical bond and found that previous calculat ion of electronic states with energies higher than 10 eV above Fermi l evel was not correct.