Email this article Sublattice effect on the formation of the band structure of crystals with the chalcopyrite lattice: B2CN, BC2N, BCN2
- Authors: Basalaev Y.M.1
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Affiliations:
- Kemerovo State University
- Issue: Vol 57, No 1 (2016)
- Pages: 8-13
- Section: Article
- URL: https://journals.rcsi.science/0022-4766/article/view/159042
- DOI: https://doi.org/10.1134/S0022476616010029
- ID: 159042
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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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About the authors
Yu. M. Basalaev
Kemerovo State University
Author for correspondence.
Email: ymbas@mail.ru
Russian Federation, Kemerovo
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