Electron transfer Cont

The first band structure calculation for TiC, TiN, and TiO was performed by Bilz (13). He used a simplified linear combination of atomic orbitals (LCAO) method and considered only the M— X bonds as the important ones. From his results he inferred a charge transfer from the metal to the nonmetal atom. A completely opposite point of view was adopted by Costa and Conte (14). These authors ignored the M—X bonds and considered only the M—M bonds. According to their calculations, a transfer of electronic charge from the nonmetal to the metal atom should occur. Lye and Logothetis (15), using optical data to adjust the parameters in their... 

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