Abstract
A tight-binding recursion method is used to study the electronic and cohesive properties of stoichiometric and substoichiometric transition metal-carbides crystallizing with the NaCl structure. The electronic structure is analyzed in terms of a p-d interaction between the p orbitals of C and the d orbitals of the transition metal. Concerning the cohesive properties of these compounds, we have calculated the energies of formation of stoichiometric (Ti, Zr, Hf, V, Nb, Ta)-C compounds and compared with the experimental values. We have also studied the stability of vacancy-ordered compounds with a vacancy concentration of 50% on the carbon sublattice, i.e. M 2C compounds.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
