Optical Properties and Band Structure of Titanium Carbide

Near-normal-incidence reflectivity measurements have been made from 0.5 to 21 eV on cleaved (100) faces of various TiCₓ specimens. Optical properties determined from dispersion (Kramers-Kronig) analyses of the reflectivity have been used, together with other information from the literature, to estimate values of the band parameters for a semiempirical, tight-binding calculation of the band structure. The two-center formalism of Slater and Koster was used for this purpose, but with the integrals treated as adjustable parameters not subject to the usual restrictions of the two-center approximation. The result differs markedly from other band structures for TiC which have appeared in the literature.