Manipulation of Dirac cones in intercalated epitaxial graphene

Journal Article · Wed Jul 12 00:00:00 EDT 2017 · Carbon

DOI:https://doi.org/10.1016/j.carbon.2017.07.020· OSTI ID:1371886

Kim, Minsung ^[1]; Tringides, Michael C. ^[1]; Hershberger, Matthew T. ^[1]; Chen, Shen ^[1]; Hupalo, Myron ^[1]; Thiel, Patricia A. ^[2]; Wang, Cai-Zhuang ^[1]; Ho, Kai-Ming ^[1]

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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

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.

• Research Organization: Ames Laboratory (AMES), Ames, IA (United States)
• Sponsoring Organization: USDOE; USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
• Grant/Contract Number: AC02-05CH11231; AC02-07CH11358
• OSTI ID: 1371886
• Alternate ID(s): OSTI ID: 1576044
• Report Number(s): IS--J 9370; PII: S0008622317306991
• Journal Information: Carbon, Journal Name: Carbon Journal Issue: C Vol. 123; ISSN 0008-6223
• Publisher: Elsevier
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
density functional theory
dirac cone
electronic structure
epitaxial graphene
graphene intercalation