ELECTRONIC-STRUCTURE OF BN, BP AND BAS

The empirical tight-binding method is used to investigate the electron ic structure of the zinc-blende boron compounds BN, BP and BAs. Result s are given for band structures, ionicity factors and elastic constant s. The electronic structure of the boron compounds exhibits features t hat differ from those of the other III-V materials. In particular we f ound that these compounds are characterized by a strong cation-anion s -s repulsion effect. The calculated ionicity shows a weak charge trans fer effect for BP and BAs which makes these compounds as the prototype covalent materials of the III-V family, while BN is found more ionic. (C) 1998 Elsevier Science B.V. All rights reserved.