Journal
PHYSICAL REVIEW B
Volume 83, Issue 15, Pages -Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.83.153413
Keywords
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Funding
- CREST [22740259]
- Japan Science and Technology Agency
- Ministry of Education, Culture, Sports, Science, and Technology of Japan
- Grants-in-Aid for Scientific Research [22740259] Funding Source: KAKEN
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We report total-energy electronic-structure calculations based on density functional theory performed on graphene adsorbed on the (111) surface of hafnium dioxide (HfO2). We find that the graphene is bound to the HfO2 surface with an interlayer spacing of 3.05 angstrom with a binding energy of about -110 meV per C atom. The electronic structure of the HfO2-adsorbed graphene originates primarily from that of the graphene near the Fermi level. However, a detailed analysis of the electronic structure shows that the linear bands on the Dirac cone are slightly split because of the interaction between the graphene and the HfO2 substrate. The physical origin of this splitting is the hybridization between the p states of the graphene and the O 2p state with Hf d character.
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