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To utilize graphene as an electronic device graphene has to be brought into contact with a metal electrode and the metal contact has a significant impact on the characteristics of the device. We have investigated the potential profile induced in graphene layer by metal contacts, which describes how charges are redistributed between metal and graphene in order to eliminate the difference in work function between them, by using firstprinciples calculations. It is found that the potential profiles are much different between surface and edge contact metal/graphene junctions. For surface contacts the potential profile is significantly influenced by Pauli exclusion interactions and bond formation between metal and graphene. On the other hand, the edge contacts lack Pauli exclusion interactions and the non-graphene-like metallic states of C atoms near the metal edges, which are induced by bond formation, are suggested to have a major effect on eliminating the work function difference.

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• In Copyright
  

  © 2024 The Japan Society of Applied Physics
  
  This is an author-created, un-copyedited version of an article accepted for publication/published
  in Japanese Journal of Applied Physics. IOP Publishing Ltd is not responsible for any errors or omissions in this version of the manuscript or　any version derived from it. The Version of Record is available online at https://doi.org/10.35848/1347-4065/ad3ed2.

Keyword: Graphene

Date published: 2024-05-01

Publisher: IOP Publishing

Journal:

• Japanese Journal of Applied Physics (ISSN: 13474065) vol. 63 issue. 5 051004

Funding:

• 防衛装備庁 JPJ004596 (二次元機能性原子薄膜を用いた革新的赤外線センサの研究)

Manuscript type: Author's version (Accepted manuscript)

MDR DOI: https://doi.org/10.48505/nims.4710

First published URL: https://doi.org/10.35848/1347-4065/ad3ed2

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Updated at: 2025-05-17 08:30:23 +0900

Published on MDR: 2025-05-17 08:20:48 +0900