Electronic structure and optical properties of dilute boron-bismide quaternary alloys BxGa1-xAs1-yBiy/GaAs for infrared optoelectronic devices

Electronic structure and optical properties of the dilute boron-bismide quaternary BxGa1−xAs1−yBiy alloys have been investigated from first-principles. The calculated structural parameters are found to be in excellent agreement with the experimental data. Optical properties are calculated by the recent developed Tran-Blaha-modified Becke-Johnson (TB-mBJ) potential which gives accurate band gaps. We find that incorporation of B and Bi into GaAs resulted in a reduced band gap. A quaternary BxGa1−xAs1−yBiy alloy with x = y = 0.125 is predicted to be lattice-matched to GaAs. The optical properties of BxGa1−xAs1−yBiy depend on the incorporated of B and Bi contents. This makes BxGa1−xAs1−yBiy/GaAs a promising system for the design of high-efficiency solar cells and advanced infrared Laser Diodes.