Related papers: Layer k-projection and unfolding electronic bands …
In the present work, we consider the excitonic effects in the twisted bilayer graphene (tBLG) within the rotated bilayer Hubbard model. Both, intralayer and interlayer Coulomb interactions have been considered and the half-filling condition…
The conductance, the transmission and the reflection probabilities through rectangular potential barriers and pn-junctions are obtained for bilayer graphene taking into account the four bands of the energy spectrum. We have evaluated the…
The recently realized bilayer graphene system with a twist angle of $30^\circ$ offers a new type of quasicrystal which unites the dodecagonal quasicrystalline nature and graphene's relativistic properties. Here, we introduce a concise…
We present efficient angle-dependent low-energy Hamiltonians to describe the properties of the twisted bilayer graphene (tBLG) heterostructure, based on {\it ab initio} calculations of mechanical relxation and electronic structure. The…
Using full potential density functional calculations within local density approximation (LDA), we report our investigation of the structural electronic properties of silicene (the graphene analogue of silicon), the strips of which has been…
Understanding the nature of the interaction at the graphene/metal interfaces is the basis for graphene-based electron- and spin-transport devices. Here we investigate the hybridization between graphene- and metal-derived electronic states…
We study the electronic band structures of massless Dirac fermions in symmetrical graphene superlattice with cells of three regions. Using the transfer matrix method, we explicitly determine the dispersion relation in terms of different…
Epitaxial bilayer silicon oxide is a transferable two-dimensional material predicted to be a wide band gap semiconductor, with potential applications for deep UV optoelectronics, or as a building block of van der Waals heterostructures. The…
We propose a first principles effective medium formalism to study the propagation of electron waves in semiconductor heterostructures with a zero-band gap. Our theory confirms that near the K-point the dynamics of a two-dimensional electron…
The Seebeck coefficient in multilayer graphene is investigated within the density-functional theory, using the semiclassical Boltzmann equations and interpolating the bands in a maximally-localized Wannier functions basis set. We compare…
The recent experimental synthesis of 2D graphitic C3N5 has attracted lot of interests in its electronic and optical properties and its comparison with other graphitic C3N4 and C3N3. To this end, we performed DFT calculations using more…
Combining graphene with transition metal dichalcogenides (TMDs) leads to enhanced spin-orbit coupling (SOC) in the graphene. The induced SOC has a large effect on the low-energy part of the band structure leading to or stabilizing novel…
Bilayer graphene is a highly promising material for electronic and optoelectronic applications since it is supporting massive Dirac fermions with a tuneable band gap. However, no consistent picture of the gap's effect on the optical and…
Bilayer graphene -- two coupled single graphene layers stacked as in graphite -- provides the only known semiconductor with a gap that can be tuned externally through electric field effect. Here we use a tight binding approach to study how…
The interlayer coupling of twisted bilayer graphene could markedly affect its electronic band structure. A current challenge required to overcome in experiment is how to precisely control the coupling and therefore tune the electronic…
We consider theoretically the influence of crystalline fields on the electronic structure of graphene placed on a layered material with reduced symmetry and large spin-orbit coupling (SOC). We use a perturbative procedure combined with the…
We study the commensurately-tilted bilayer graphene in the tight-binding model with changing the interlayer distance, which can be tuned by pressure. We find that at the commensurately-tilted bilayer graphene with moderate rotating angles,…
The crystallographic symmetries and spatial distribution of stacking domains in graphene films on SiC have been studied by low energy electron diffraction (LEED) and dark field imaging in a low energy electron microscope (LEEM). We find…
Recently a paper of Klimovskikh et al. was published presenting experimental and theoretical analysis of the graphene/Pb/Pt(111) system. The authors investigate the crystallographic and electronic structure of this graphene-based system by…
The atomic and electronic structures of a graphene layer on top of the $(2\times2)$ reconstruction of the SiC (000$\bar{1}$) surface are studied from ab initio calculations. At variance with the (0001) face, no C bufferlayer is found here.…