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The electronic and optical response of Bernal stacked bilayer graphene with geometry modulation and gate voltage are studied. The broken symmetry in sublattices, one dimensional periodicity perpendicular to the domain wall and out-of-plane axis introduces substantial changes of wavefunctions, such as gapless topological protected states, standing waves with bonding and anti-bonding characteristics, rich structures in density of states and optical spectra. The wavefunctions present well-behaved standing waves in pure system and complicated node structures in geometry-modulated system. The optical absorption spectra show forbidden optical excitation channels, prominent asymmetric absorption peaks, and dramatic variations in absorption structures. These results provide that the geometry-modulated structure with tunable gate voltage could be used for electronic and optical manipulation in future graphene-based devices.
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Van der Waals (vdW) heterostructures ---formed by stacking or growing two-dimensional (2D) crystals on top of each other--- have emerged as a new promising route to tailor and engineer the properties of 2D materials. Twisted bilayer graphene (tBLG), a simple vdW structure where the interference between two misaligned graphene lattices leads to the formation of a moire pattern, is a test bed to study the effects of the interaction and misalignment between layers, key players for determining the electronic properties of these stackings. In this chapter, we present in a pedagogical way the general theory used to describe lattice mismatched and misaligned vdW structures. We apply it to the study of tBLG in the limit of small rotations and see how the coupling between the two layers leads both to an angle dependent renormalization of graphenes Fermi velocity and appearance of low-energy van Hove singularities. The optical response of this system is then addressed by computing the optical conductivity and the dispersion relation of tBLG surface plasmon-polaritons.
In this paper, we study the quantum properties of a bilayer graphene with (asymmetry) line defects. The localized states are found around the line defects. Thus, the line defects on one certain layer of the bilayer graphene can lead to an electric transport channel. By adding a bias potential along the direction of the line defects, we calculate the electric conductivity of bilayer graphene with line defects using Landauer-B{u}ttiker theory, and show that the channel affects the electric conductivity remarkably by comparing the results with those in a perfect bilayer graphene. This one-dimensional line electric channel has the potential to be applied in the nanotechnology engineering.
The feature-rich electronic and magnetic properties of fluorine-doped graphene nanoribbons are investigated by the first-principles calculations. They arise from the cooperative or competitive relations among the significant chemical bonds, finite-size quantum confinement and edge structure. There exist C-C, C-F, and F-F bonds with the multi-orbital hybridizations. Fluorine adatoms can create the p-type metals or the concentration- and distribution-dependent semiconductors, depending on whether the $pi$ bonding is seriously suppressed by the top-site chemical bonding. Furthermore, five kinds of spin-dependent electronic and magnetic properties cover the non-magnetic and ferromagnetic metals, the non-magnetic semiconductors, and the anti-ferromagnetic semiconductors with/without the spin splitting. The diverse essential properties are clearly revealed in the spatial charge distribution, the spin density, and the orbital-projected density of states.
We study, within the tight-binding approximation, the electronic properties of a graphene bilayer in the presence of an external electric field applied perpendicular to the system -- emph{biased bilayer}. The effect of the perpendicular electric field is included through a parallel plate capacitor model, with screening correction at the Hartree level. The full tight-binding description is compared with its 4-band and 2-band continuum approximations, and the 4-band model is shown to be always a suitable approximation for the conditions realized in experiments. The model is applied to real biased bilayer devices, either made out of SiC or exfoliated graphene, and good agreement with experimental results is found, indicating that the model is capturing the key ingredients, and that a finite gap is effectively being controlled externally. Analysis of experimental results regarding the electrical noise and cyclotron resonance further suggests that the model can be seen as a good starting point to understand the electronic properties of graphene bilayer. Also, we study the effect of electron-hole asymmetry terms, as the second-nearest-neighbor hopping energies $t$ (in-plane) and $gamma_{4}$ (inter-layer), and the on-site energy $Delta$.
The generalized tight-binding model is developed to investigate the magneto-electronic properties in twisted bilayer graphene system. All the interlayer and intralayer atomic interactions are included in the Moire superlattice. The twisted bilayer graphene system is a zero-gap semiconductor with double-degenerate Dirac-cone structures, and saddle-point energy dispersions appearing at low energies for cases of small twisting angles. There exist rich and unique magnetic quantization phenomena, in which many Landau-level subgroups are induced due to specific Moire zone folding through modulating the various stacking angles. The Landau-level spectrum shows hybridized characteristics associated with the those in monolayer, and AA $&$ AB stackings. The complex relations among the different sublattices on the same and different graphene layers are explored in detail.
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