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Lattice and Electronic Structure Properties of (AlN) x (SiC) 1—x Semiconducting Alloy
Author(s) -
Zaoui A.,
Certier M.,
Ferhat M.,
Pagès O.,
Aourag H.
Publication year - 1998
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/(sici)1521-3951(199802)205:2<587::aid-pssb587>3.0.co;2-z
Subject(s) - bowing , pseudopotential , lattice constant , materials science , bulk modulus , alloy , condensed matter physics , band gap , electronic band structure , lattice (music) , diffraction , composite material , optoelectronics , optics , physics , philosophy , theology , acoustics
The band‐gap bowing in zincblende (AlN) x (SiC) 1— x is studied by means of the empirical pseudopotential method (EPM) coupled with the virtual crystal approximation (VCA) which takes into account the compositional disorder as an effective potential. The results obtained within the VCA show that the bowing parameter is not so important, whereas the adding of the compositional disorder to the VCA clearly shows that the bowing is rather important in such material. Calculations of the charge densities have shown how the bands behave as the composition changes and this is highly linked to the ionicity character. The variations of the bulk modulus, the force constants and the elastic constants with the alloy concentration are also established. The computational results agree well with available theoretical and experimental data.