Electronic structure of BN, BP and BAs
The empirical tight-binding method is used to investigate the electronic structure of the zinc-
blende boron compounds BN, BP and BAs. Results are given for band structures, ionicity
factors and elastic constants. The electronic structure of the boron compounds exhibits
features that differ from those of the other III–V materials. In particular we found that these
compounds are characterized by a strong cation-anion s–s repulsion effect. The calculated
ionicity shows a weak charge transfer effect for BP and BAs which makes these compounds …
blende boron compounds BN, BP and BAs. Results are given for band structures, ionicity
factors and elastic constants. The electronic structure of the boron compounds exhibits
features that differ from those of the other III–V materials. In particular we found that these
compounds are characterized by a strong cation-anion s–s repulsion effect. The calculated
ionicity shows a weak charge transfer effect for BP and BAs which makes these compounds …
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