Charge carrier density in Li-intercalated graphene

Thaneshwor P. Kaloni, Yingchun Cheng, M. Upadhyay Kahaly, Udo Schwingenschlögl

Research output: Contribution to journalArticlepeer-review

34 Scopus citations

Abstract

The electronic structures of bulk C 6Li, Li-intercalated free-standing bilayer graphene, and Li-intercalated bilayer and trilayer graphene on SiC(0 0 0 1) are studied using density functional theory. Our estimate of Young's modulus suggests that Li-intercalation increases the intrinsic stiffness. For decreasing Li-C interaction, the Dirac point shifts to the Fermi level and the associated band splitting vanishes. For Li-intercalated bilayer graphene on SiC(0 0 0 1) the splitting at the Dirac point is tiny. It is also very small at the two Dirac points of Li-intercalated trilayer graphene on SiC(0 0 0 1). For all the systems under study, a large enhancement of the charge carrier density is achieved by Li intercalation. © 2012 Elsevier B.V. All rights reserved.
Original languageEnglish (US)
Pages (from-to)29-33
Number of pages5
JournalChemical Physics Letters
Volume534
DOIs
StatePublished - May 2012

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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