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• W4312216825 abstract "Abstract The structural stability and miscibility of (Al x Ga 1− x ) 2 O 3 alloys are theoretically investigated by means of electronic structure calculations within density functional theory. Effects of lattice constraint due to α -Al 2 O 3 (0001) substrate and (Al 0.4 Ga 0.6 ) 2 O 3 buffer layer on the structural stability and miscibility are evaluated from the energy differences and the excess energies among α , β , and κ phases. For the constrained systems by α -Al 2 O 3 (0001) substrate, only (Al x Ga 1− x ) 2 O 3 alloys with α phase are found to be stabilized. Furthermore, the lattice constraint drastically improves the miscibility of (Al x Ga 1− x ) 2 O 3 alloys. These results suggest that the lattice constraint is crucial for the stability and miscibility of (Al x Ga 1− x ) 2 O 3 alloys." @default.
• W4312216825 created "2023-01-04" @default.
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• W4312216825 date "2023-01-23" @default.
• W4312216825 modified "2023-09-25" @default.
• W4312216825 title "Effect of lattice constraint on structural stability and miscibility of (Al _x Ga_1−x)₂O₃ films: a first-principles study" @default.
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• W4312216825 doi "https://doi.org/10.35848/1347-4065/acae5f" @default.
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