On the Electronic Structure of Transition Metal Carbonitrides, Carboxides, and Oxinitrides. II. A Study of the Electronic Structure of TiCxN1−x, TiCxO1−x, and TiNxO1−x in Terms of the Relativistic KKR‐ATA Method

In part II the relativistic KKR‐ATA method is employed to investigate the electronic structure of TiCxN1−x, TiCxO1−x, and TiNxO1−x. Two different models for the description of the electronic structure are discussed, the more appropriate one being used to calculate the Ti‐p3/2‐like local density of states and the Fermi energies for these systems with respect to the molar fraction. In particular the relevant terms for the effective lattices and the integral as well as the differential density of states are discussed in some detail. A comparison to X‐ray emission spectra proofs that the electronic structure calculated for these systems is at least qualitatively correct.