[8a-PA4-1~31] Joint Session K "Wide bandgap oxide semiconductor materials and devices"（Poster）

[8a-PA4-24] First-principles calculation on crystal structures of M₂O₃ (M=Al, Ga, In) alloys

〇Kazuhiro Shimada¹, Misaki Ito¹, Takuya Kaneko¹, Shinnosuke Kobayashi¹ (1.Kanto Gakuin Univ.)

Keywords:first-principles, sesquioxide

Ga₂O₃ is expected for use as UV transparent electrodes and field effect transistors because of the superior characteristics to wide gap semiconductors, such as GaN and SiC. Since sesquioxides could have tetrahedral, hexahedral and octahedral bonds centered on Group III elements, their bonding character enable them to crystallize in a variety of crystal structures with various symmetries. When we consider their alloy system as a material for electronic devices, information on the crystal structure, such as lattice constants and the stable crystal structure, are required for device design. In this study, we perform first-principles calculation based on density functional theory and clarify the lattice constants and the structural stability of M₂O₃ (M = Al, Ga, In) alloys with various symmetries.