Structural and electronic properties of BAs and B x Ga1− x As, B x In1− x As alloys

Abstract: Structural and electronic properties of the BAs compound and B x Ga1− x As, B x In1− x As alloys are studied using first principles calculations. New results on elastic constants, acoustic phonons and optical phonons frequencies are reported. The 4×4 Kane''s interaction matrix is calculated in order to ease simulations of optoelectronic devices. Effective masses and Luttinger parameters for the valence bands are calculated. B x Ga1− x As and B x In1− x As alloys are simulated using the virtual crystal approximation (VCA). The B x Ga1− x As alloy lattice-matched to GaP substrate is found to be an indirect band gap semiconductor. The B x In1− x As alloys lattice-matched to InP and GaAs substrates, are found to be direct band gap semiconductors. The B x In1− x As alloy is proposed as an alternative solution for epitaxial growth of nanostructures for electronic (field effect transistors) and optoelectronic (lasers, saturable absorbers) devices on InP substrate. [Copyright &y& Elsevier]