Virtual crystal description of III-V semiconductor alloys in the tight binding approach.
We propose a simple and effective approach to construct the empirical tight-binding parameters of ternary alloys in the virtual crystal approximation. This combines a new, compact formulation of the strain parameters and a linear interpolation of the Hamiltonians of binary materials strained to the alloy equilibrium lattice parameter. We show that it is possible to obtain a perfect description of the bandgap bowing of ternary alloys in the InGaAsSb family of materials. Furthermore, this approach is in a good agreement with supercell calculations using the same set of parameters. This scheme opens a way for atomistic modeling of alloy-based quantum wells and quantum wires without extensive supercell calculations.
Ioffe Institute, 194021 St. Petersburg, Russia. Laboratoire de Photonique et Nanostructures, CNRS and Université Paris-Saclay, Route de Nozay, 91460 Marcoussis, France.
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Nestoklon
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Benchamekh
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Voisin