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

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 4x4 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