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First principles total energy calculations were carried out to investigate structural and electronic properties of zinc-blend (ZB) GaAs, GaBi and GaAs 1−x Bi x solid solutions. We have calculated lattice parameters, bulk modulus, pressure derivative and GaAs 1−x Bi x band-gap energy for zinc blend-type crystals of the compositions x=0, 0.25, 0.5, 0.75, 1....
A method for calculating the electronic structure of the quaternary alloy GaAlInAs is presented with zinc blende structure. We have used the empirical pseudo-potential method coupled with the virtual crystal approximation (VCA). The electronic structures are studied for GaAlInAs (x = 0.24, y = 0.24) and GaAlInAs lattice matched to InP as well GaAs. In addition a method for calculating the refractive...
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