Virtual crystal description of III-V semiconductor alloys in the tight binding approach

Abstract

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 opto-electronic devices without extensive supercell calculations.

4 pages, 3 figures

References in corpus (3)

• Unfolding spinor wavefunctions and expectation values of general operators: Introducing the unfolding-density operator
• Unfolding the band structure of disordered solids: from bound states to high-mobility Kane fermions
• Tetragonal and trigonal deformations in zinc-blende semiconductors : a tight-binding point of view

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• Spin splitting of electron states in lattice-mismatched (110)-oriented quantum wells
• Tight-binding calculations of SiGe alloy nanocrystals in SiO2 matrix
• Calculation of Optical Response Functions of Dilute-N GaPAsN Lattice-matched to Si
• Potential-inserted quantum well design for quantum cascade terahertz lasers
• Untangling the valley structure of states for intravalley exchange anisotropy in lead chalcogenides quantum dots