First Principles Investigation of Al2O3 γ-Ga2O3 Interface Structures

The β-Ga
₂
O
₃
(beta-gallium oxide) is one of promising candidate materials for the future power and RF devices. Since the high-quality gate dielectric layer is mandatory for developing the Ga
₂
O
₃
based MOSFET, theoretical investigation on the properties of Al
₂
O
₃
/β-Ga
₂
O
₃
interface is required. We have generated atomistic Al
₂
O
₃
/β-Ga
₂
O
₃
interface models, which are consistent with experimental results. By the density functional theory(DFT)-based electronic structure calculation, it is confirmed that the generated interface structures are physically stable. The band offset levels are applicable to the MOS structure for device application. It is expected that the atomistic interface structures generated in this work can be used for further first principles investigation on the Al
₂
O
₃
/β-Ga
₂
O
₃
interface.