Ab initio theory of gate induced gaps in graphene bilayers

  title={Ab initio theory of gate induced gaps in graphene bilayers},
  author={Hongki Min and Bhagawan Sahu and Sanjay K. Banerjee and Allan H. MacDonald},
  journal={Physical Review B},
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. 
Electronic properties of monolayer and bilayer graphene
The tight-binding model of electrons in graphene is reviewed. We derive low-energy Hamiltonians supporting massless Dirac-like chiral fermions and massive chiral fermions in monolayer and bilayer
Tuning field-induced energy gap of bilayer graphene via interlayer spacing
Our first-principles calculations reveal surprisingly high sensitivity of the field-induced energy gap of bilayer graphene to changes in its interlayer spacing. Small adjustments in the interlayer
Tunneling Between Bilayers of Graphene
In this chapter, a theory is developed for calculating vertical tunneling current between two sheets of bilayer graphene separated by a thin, insulating layer of hexagonal boron nitride, neglecting
The electronic properties of bilayer graphene.
The tight-binding model is used to describe optical and transport properties including the integer quantum Hall effect, and the also discusses orbital magnetism, phonons and the influence of strain on electronic properties.
New Dirac fermions in periodically modulated bilayer graphene.
It is shown that there is a critical value of the external potential below which new Dirac fermions are generated in the low-energy band structure, and above which a band gap is opened in the system.
Tunable band gap in hydrogenated bilayer graphene.
The electronic structural characteristics of hydrogenated bilayer graphene under a perpendicular electric bias using first-principles density functional calculations shows a ferromagnetic semiconductor with a tunable band gap with implications for future graphene-based device applications.
Thermopower of gapped bilayer graphene
We calculate thermopower of clean and impure bilayer graphene systems. Opening a band gap through the application of an external electric field is shown to greatly enhance the thermopower of bilayer
Many-body enhancement of the tunable gap in biased bilayer graphene
A self-consistent microscopic theory is applied to analyze the influence of many-body effects on the energy spectrum of biased bilayer graphene. The results show a monotonic increase of the
Symmetry breaking in few layer graphene films
Recently, it was demonstrated that the quasiparticle dynamics, the layer-dependent charge and potential, and the c-axis screening coefficient could be extracted from measurements of the spectral
Electronic transport in bilayer graphene
We present theoretical studies on the transport properties and localization effects of bilayer graphene. We calculate the conductivity by using the effective mass model with the self-consistent Born


Introduction 3) Band structure control by doping • Angle-resolved photoemission spectroscopy
  • 2006