Density functional theory calculations of the electric-field-induced Dirac cones and quantum valley Hall state in ABA-stacked trilayer graphene

Kyu Won Lee, Cheol Eui Lee

Research output: Contribution to journalArticle

4 Citations (Scopus)

Abstract

We have investigated ABA-stacked trilayer graphene under a perpendicular electric field by using the density functional theory (DFT) calculations, which may contribute to the resolution of the discrepancies between experimental and theoretical results on the electric-field-induced band gap and topological phase transition. We found that the electric field opens a band gap at a low field and closes the gap at a high field, supporting one of the experimental results. While the seven electric-field-induced Dirac cones with mass gaps predicted in recent tight-binding (TB) models are confirmed, our DFT calculations demonstrate a phase transition from a quantum valley Hall insulator to a semimetal, contrasting to the TB model prediction of a topological phase transition between topologically nontrivial insulators at a high electric field.

Original languageEnglish
Article number245416
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume92
Issue number24
DOIs
Publication statusPublished - 2015 Dec 10

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Graphene
Density functional theory
valleys
Cones
cones
graphene
Electric fields
density functional theory
electric fields
Phase transitions
Energy gap
insulators
Metalloids
metalloids
predictions

ASJC Scopus subject areas

  • Condensed Matter Physics
  • Electronic, Optical and Magnetic Materials

Cite this

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