M. Ferhat et al., EMPIRICAL TIGHT-BINDING BAND-STRUCTURE OF ZINCBLENDE NITRIDES GAN, ALN, AND BN, Physica status solidi. b, Basic research, 195(2), 1996, pp. 415-424
The electronic band structure and density of states for zinc-blende ni
trides GaN, ALN, and BN are reported using an sp(3)s tight binding me
thod. The large hand gap found for these compounds is analyzed in term
s of chemical and volume deformation effects. The calculated ionicity
agrees with the Phillips scale and shows a strongly ionic character fo
r GaN and AIN, while BN is found more covalent.