Abstract

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 enclosing the band gap of the β-SiC. The localized interface state strongly related to the interface C atoms exists in the original band gap.

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