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Empirical tight‐binding band structure of zinc‐blende nitrides GaN, AIN, and BN
Author(s) -
Ferhat M.,
Zaoui A.,
Certier M.,
Khelifa B.
Publication year - 1996
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.2221950210
Subject(s) - nitride , tight binding , band gap , materials science , ionic bonding , condensed matter physics , electronic band structure , electronic structure , crystallography , chemistry , nanotechnology , optoelectronics , physics , ion , organic chemistry , layer (electronics)
The electronic band structure and density of states for zinc‐blende nitrides GaN, AIN, and BN are reported using an sp 3 s* tight‐binding method. The large band gap found for these compounds is analyzed in terms of chemical and volume deformation effects. The calculated ionicity agrees with the Phillips scale and shows a strongly ionic character for GaN and AIN, while BN is found more covalent.