First-Principle Electronic Properties of Monoclinic (Al_xIn_yGa_1-x-y)₂O₃ Alloys

Abstract

First-Principle DFT calculations are carried out to investigate the electronic properties of β-(Al_xIn_yGa_1-x-y)₂O₃ alloys with x ranging from 0~12.5% and y ranging from 0~ 18.75%. The electronic properties of monoclinic gallium oxide alloy with added aluminium and indium atoms are explored. The incorporation of both aluminium and indium results in the reduction of energy bandgap of β-(Al_xIn_yGa_1-x-y)₂O₃ alloys. Additionally, indium of higher content than aluminium in the quaternary alloy promotes the indirect bandgap transferring to direct bandgap. This work provides new findings on the flexible band property modification of monoclinic gallium oxide-based material and indicates their potential in deep ultraviolet photodetector.