Electronic structures of the suboxide films formed on TiC(1 0 0) and ZrC(1 0 0) surfaces: Density functional theory studies

Density functional theory (DFT) calculations have been performed to elucidate the electronic structures of the TiO-like film on TiC(1 0 0) and the ZrO-like film on ZrC(1 0 0), which are assumed to be monolayers of suboxide films with (1 × 1) periodicity with respect to the substrate (1 0 0) surfaces...

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Veröffentlicht in:	Surface science 2009-08, Vol.603 (15), p.2340-2344
Hauptverfasser:	Shimada, T., Imamura, K., Edamoto, K., Orita, H.
Format:	Artikel
Sprache:	eng
Schlagworte:	Carbides Condensed matter: electronic structure, electrical, magnetic, and optical properties Condensed matter: structure, mechanical and thermal properties Cross-disciplinary physics: materials science rheology Density functional calculations Epitaxy Exact sciences and technology Low index single crystal surfaces Photoelectron spectroscopy Physics
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