Composition Dependence of Structural and Electronic Properties of Quaternary InGaNBi

Abstract

To realize feasible band structure engineering and hence enhanced luminescence efficiency, InGaNBi is an attractive alloy which may be exploited in photonic devices of visible light and mid-infrared. In present study, the structural, electronic properties such as bandgap, spin-orbit splitting energy, and substrate strain of InGaNBi versus In and Bi compositions are studied by using first-principles calculations. The lattice parameters increase almost linearly with increasing In and Bi compositions. By bismuth doping, the quaternary InGaNBi bandgap could cover a wide energy range from 3.273 to 0.651 eV for Bi up to 9.375% and In up to 50%, corresponding to the wavelength range from 0.38-1.9 µm. The calculated spin-orbit splitting energy are about 0.220 eV for 3.125%, 0.360 eV for 6.25%, and 0.600 eV for 9.375% Bi, respectively. We have also shown the strain of InGaNBi on GaN; it indicates that through adjusting In and Bi compositions, InGaNBi can be designed on GaN with an acceptable strain.