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Original Articles

Calculated electronic properties of titanium carbonitrides TiCxN1-x

, , , &
Pages 139-152 | Received 01 Dec 1987, Accepted 04 Dec 1987, Published online: 20 Aug 2006
 

Abstract

The energy-band structures and cohesive energies for the compounds TiCxN1-x (x = 0, 0•25, 0•50, 0•75 and 1•0) have been calculated self-consistently by the linear muffin-tin orbital method in the atomic-spheres approximation. It is shown that the influence of disorder in the metalloid sublattice on the density of states is small. The nonlinear behaviour of the cohesive energy against x is examined and the calculated band structures are used to analyse the available experimental data on electromagnetic properties of the compounds.

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