Theoretical Study of Epitaxial Graphene Growth on SiC(<Special Topic>Growth of Graphen and its Applications)

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  • SiC上エピタキシャルグラフェン成長の理論検討(<特集>グラフェンの成長と応用)
  • SiC上エピタキシャルグラフェン成長の理論検討
  • SiC ジョウ エピタキシャルグラフェン セイチョウ ノ リロン ケントウ

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Epitaxial graphene growth on SiC (0001) is studied with the first-principles calculation. The growth process is modeled by the C aggregation on the terrace, and the energetics is studied. Adsorbed C atoms prefer to form sp^2 bonds, and make C-C bonds rather than terminating dangling bonds of the surface Si. Si-terminated surface of the substrate is important to form thin and flat epitaxial graphene sheets. The surface Si atoms act as the catalyst. In addition, a new graphene sheet preferably forms at the interface between the old graphene sheets and the Si-terminated surface of the substrate. This means that the epitaxial graphene growth is the interfacial growth, being different from the general epitaxial growth. It is also found that Si desorption sites trap excess C atoms and grow into graphene islands.

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