Results of self-consistent band-structure calculations for ScN, ScO, TiC, TiN, TiO, VC, VN and VO

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, , Citation A Neckel et al 1975 J. Phys. C: Solid State Phys. 9 579 DOI 10.1088/0022-3719/9/4/008

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1 Inst. fur Tech. Elektrochemie, Tech. Univ., Wien, Austria

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0022-3719/9/4/579

Abstract

By using the augmented-plane-wave method in connection with the X alpha method for exchange, the self-consistent band structures for eight compounds have been calculated. By means of the wavefunctions, a charge analysis is presented. The Slater-Koster LCAO interpolation scheme is applied to yield accurate densities of states and partial densities of states.

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