SUBLATTICE EFFECT ON THE FORMATION OF THE BAND STRUCTURE OF CRYSTALS WITH THE CHALCOPYRITE LATTICE: B2CN, BC2N, BCN2
Yu. M. Basalaev
Kemerovo State University, Kemerovo, Russia
Keywords: халькопирит, антихалькопирит, подрешетка, BCN, BCN, BCN, chalcopyrite, antichalcopyrite, sublattice, BCN, BCN, BCN
Abstract
Three possible models of the ordered arrangement of B, C, and N atoms in chalcopyrite sublattices are considered. Crystal lattice parameters are obtained from the first principles, band spectra are calculated, and the role of B, C, and N atoms in the formation of chemical bonds and the valence band in the B2CN, BC2N, and BCN2 crystals is revealed.
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