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Published online by Cambridge University Press: 21 February 2011
Surface electronic structures of β-SiC reconstructed (001) surfaces and the Al/β-SiC(001) interface have been investigated by employing a tight-binding method. Distinct surface electronic characteristics corresponding to different surface reconstructions are discussed based on the interpretation of surface density of states. The calculations of the Al/β-SiC (001) interface indicate that aluminum deposition on β-SiC(001) surface may induce the substrate to return to the ideal unreconstructed surface and that Al-C interaction is stronger than Al-Si interaction. Al deposition on C-rich surfaces may form a better bonded interface than that on the Si-rich surfaces. Our findings are in good agreement with available experimental and theoretical results.