DENSITY OF STATES OF SUBSTOICHIOMETRIC TIC1-X

The electronic states of substoichiometric TiC1-x, x=0.0, ... , 0.4 were studied by the CPA method and both the partial and total densities of states were calculated. The results revealed that with increasing vacancy concentration x the Fermi level EF moves to higher energies and the density of states at EF,g(EF), goes up by a factor of four. The partial density of states analysis shows that the increase of g(E F) is solely due to the contribution of d states. The results obtained differ considerably from the predictions of the rigid-band model. The differences should show up in the X-ray spectra as is illustrated by the calculated LIII emission intensity.