Ab initiotheory of gate induced gaps in graphene bilayers

2006/12/31 by Hongki Min, Bhagawan Sahu, B. R. Sahu +2 · 19 citations
Chemistry · Materials Science · Physics and Astronomy · #Ab initio #Ab initio quantum chemistry methods #Bilayer graphene #Carbon Nanotubes in Composites #Chemical physics #Chemistry #Computational chemistry #Condensed matter physics #Graphene #Graphene research and applications #Materials science #Molecule #Nanotechnology #Physics #Quantum mechanics #Topological Materials and Phenomena #cond-mat.mtrl-sci #cond-mat.str-el

paper · pdf · doi:10.1103/physrevb.75.155115

published as Phys. Rev. B 75, 155115 (2007) · 7 pages, 7 figures; the effect of r3 coupling included; typo corrected

openalex publication_date 2007/04/25 · arxiv created 2007/04/26 · arxiv updated 2009/12/01 · openalex created_date 2016/06/24 · openalex updated_date 2026/08/05

Abstract

We study the gate-voltage induced gap that occurs in graphene bilayers using ab initio density functional theory. Our calculations confirm the qualitative picture suggested by phenomenological tight-binding and continuum models. We discuss enhanced screening of the external interlayer potential at small gate voltages, which is more pronounced in the ab initio calculations, and quantify the role of crystalline inhomogeneity using a tight-binding model self-consistent Hartree calculation.

Citations

• Generalized Gradient Approximation Made Simple
• Unconventional quantum Hall effect and Berry’s phase of 2π in bilayer graphene
• Quantum Spin Hall Effect in Graphene
• Electric Field Effect in Atomically Thin Carbon Films
• Intrinsic and Rashba spin-orbit interactions in graphene sheets
• Two-dimensional atomic crystals
• Self-Consistent Equations Including Exchange and Correlation Effects

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• Photoinduced dc Hall current in few-layer black phosphorus with a gate-tunable Floquet gap
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