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大学・研究所にある論文を検索できる 「Microscopic identification of stepped SiC(0001) and the reaction site of hydrogen-rich epitaxial growth」の論文概要。リケラボ論文検索は、全国の大学リポジトリにある学位論文・教授論文を一括検索できる論文検索サービスです。

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Microscopic identification of stepped SiC(0001) and the reaction site of hydrogen-rich epitaxial growth

Kimura, Tomoya Chokawa, Kenta Shiraishi, Kenji Oshiyama, Atsushi 名古屋大学

2022.07.15

概要

We report first-principles total-energy electronic-structure calculations, based on density-functional theory, that unveil detailed atomic structures of hydrogen-adsorbed step edges and their energetics of the silicon carbide (SiC) (0001) surface. The obtained adsorption energy of the hydrogen atom at each step reveals the microscopic reason for the step morphology on the Si-face SiC(0001) surfaces which are commonly inclined toward the 1120¯  direction in epitaxial growth. The calculated hydrogen coverages at each step and also on the surface terrace clearly identify the favorable reaction sites for the epitaxial growth, such as chemical vapor deposition (CVD) in which hydrogen is ubiquitous. The obtained results provide a firm theoretical framework to discuss the atom-scale mechanism of the epitaxial growth of SiC.

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