Modulation Of Electronic Structures and Transport Properties In 2d Tm0.5ga1.5o3 (Tm = Al, Ga, in)

Abstract

In this study, the band structures, density of states and transport properties of two-dimensional (2D) TM0.5Ga1.5O3 (TM= Al, Ga, In) are investigated by the first principle and the deformation potential theory. Both 2D Al0.5Ga1.5O3 and 2D In0.5Ga1.5O3 alloys tend to form under poor-oxygen conditions. Compared to bulk Ga2O3, the bandgap of 2D Ga2O3 is increased by 0.382 eV and its electron mobility is significantly increased from 143 cm^2/(V·s)  to 1486 cm^2/(V·s). For 2D Al0.5Ga1.5O3, the bandgap and the electron effective mass are larger than those of 2D Ga2O3, but its electron mobility is reduced by more than 25%. In contrast, the bandgap of 2D In0.5Ga1.5O3 is narrower than that of 2D Ga2O3 while its electron mobility is increased by more than 52%, reaching 2262.901cm^2/(V·s). Therefore, both substituted Al and substituted In can effectively modulate the band engineering and transport properties of 2D Ga2O3. 2D In0.5Ga1.5O3 has great potential to be used as a transport material for high-speed Ga2O3 electronic devices.

Keywords: Electronic structure, transport properties, 2D Al0.5Ga1.5O3, 2D In0.5Ga1.5O3