Presentation Information

[8p-P10-14]Theoretical investigation for structural stability of Ga2O3 on α-Al2O3(0001) substrate

〇koki Ishida1, Akiyama Toru1, Kawamura Takahiro1 (1.Mie Univ.)

Keywords:

Ga2O3,Interfacial mechanism

The structural stability of Ga2O3 on α-Al2O3(0001) is theoretically investigated by calculating the interface energies using density functional calculations. The calculated interface energies for various atomic configurations at the interface demonstrate that α-Ga2O3/α-Al2O3 interface is the most stable, independent of the Ga chemical potential. It is also found that β-Ga2O3/α-Al2O3 and β-Ga2O3/α-Ga2O3 interfaces are metastable even if the lattice strain at the interface is released. The calculated results suggest that α-Ga2O3 thin film is easily formed on α-Al2O3(0001) and stable β-Ga2O3 can be formed only for thick Ga2O3 films.