LMTO Study on Band Structure of β-SiC/β-GaN (100) Interface

The linear muffin-tin orbital method and the supercell approach are used to study the band structures of the β-SiC/β-GaN (100) interface within the atomic sphere approximation. It is found that the Si-N, C-Ga bonding configuration is favorable. The band alignment is of type-I with the band gap of the β-GaN completely endosing the band gap of the β-Sic. The localized interface state strongly related to the interface C atoms exists in the original band gap.