Band structure calculations in N-ary alloysReportar como inadecuado

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Abstract : A method for simple calculations of the electronic structure of complex crystalline alloys is presented This method is twostepwise : within the virtual crystal approximation VCA a general interpolation scheme is achieved for the determination of the physical properties of the alloy in terms of those of its pure constituents and the intrinsic VCA bowing effects of their related simplest pseudo binary alloys. The second step of this method is an extension of the Dielectric Method to account for disorder effects in the general alloy, including a k dependent parameterization of the extrinsic bowing effects. Applied to the III-V compound-based materials, the general expressions of lattice parameter and higher symmetry points optical transitions as functions of compositions are derived for these isovalent ternary and quaternary alloys.

Keywords : band structure of crystalline semiconductors and insulators band theory models and calculation methods III V semiconductors

Autor: A.A. Mbaye F. Aymerich



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