Electronic property of Na-doped epitaxial graphenes on SiC

摘要

The electronic property of epitaxial graphenes with Na adsorption or intercalation is studied with the use of pseudopotential density functional method. It is found that the charge transfer and the Na binding energy show strong coverage dependence. Calculated energetics shows that Na prefers the intercalation between the buffer and top graphene layers to the adsorption on top graphene layer. The buffer layer is inert to Na adsorption on top graphene layer but it is charged when Na atoms are intercalated. This indicates that the conduction of epitaxial graphenes can be affected significantly by Na intercalation.