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Title: Manipulation of Dirac cones in intercalated epitaxial graphene

Graphene is an intriguing material in view of its unique Dirac quasi-particles, and the manipulation of its electronic structure is important in material design and applications. Here, we theoretically investigate the electronic band structure of epitaxial graphene on SiC with intercalation of rare earth metal ions (e.g., Yb and Dy) using first-principles calculations. We can use the intercalation to control the coupling of the constituent components (buffer layer, graphene, and substrate), resulting in strong modification of the graphene band structure. We also demonstrate that the metal-intercalated epitaxial graphene has tunable band structures by controlling the energies of Dirac cones as well as the linear and quadratic band dispersion depending on the intercalation layer and density. Thus, the metal intercalation is a viable method to manipulate the electronic band structure of the epitaxial graphene, which can enhance the functional utility and controllability of the material.
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  1. Ames Lab. and Iowa State Univ., Ames, IA (United States); Iowa State Univ., Ames, IA (United States). Dept. of Physics and Astronomy
  2. Ames Lab. and Iowa State Univ., Ames, IA (United States); Iowa State Univ., Ames, IA (United States). Dept. of Chemistry and Dept. of Materials Science and Engineering
Publication Date:
Report Number(s):
IS-J 9370
Journal ID: ISSN 0008-6223; PII: S0008622317306991
Grant/Contract Number:
AC02-07CH11358; AC02-05CH11231
Accepted Manuscript
Journal Name:
Additional Journal Information:
Journal Volume: 123; Journal Issue: C; Journal ID: ISSN 0008-6223
Research Org:
Ames Laboratory (AMES), Ames, IA (United States)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Country of Publication:
United States
36 MATERIALS SCIENCE; epitaxial graphene; graphene intercalation; density functional theory; electronic structure; dirac cone
OSTI Identifier: