Polarized XANES spectra of titanium dichalcogenides - experiment and theory

We studied unoccupied electron states of titanium dichalcogenides by means of polarized x-ray absorption spectroscopy. Experimental spectra of TiS2, T iSe2, and TiTe2 at the Ti K edge and of TiTe2 at the Te L-1 edge were compa red with results of real-space multiple-scattering calculations and, in the case of TiS2, also with results of selfconsistent band-structure calculati ons. The Ti K edge spectra of all three dichalcogenides are quite similar t o each other provided that differences in their lattice constants are suppr essed by comparing the spectra in equivalent energy scales. The corresponde nce between Te L-1 edge of TiTe2 and S K edge of TiS2 is not so unambiguous . The effect of varying cluster sizes on particular spectral features is in vestigated.