Structural and electronic properties of BAs and BxGa1−xAs, BxIn1−xAs alloys

Structural and electronic properties of the BAs compound and BxGa1−xAs, BxIn1−xAs 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. BxGa1−xAs and BxIn1−xAs alloys are simulated using the virtual crystal approximation (VCA). The BxGa1−xAs alloy lattice-matched to GaP substrate is found to be an indirect band gap semiconductor. The BxIn1−xAs alloys lattice-matched to InP and GaAs substrates, are found to be direct band gap semiconductors. The BxIn1−xAs 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.