Related papers: Charge redistribution and interlayer coupling in t…
Twisted bilayers of two-dimensional materials have emerged as a highly tunable platform for studying broken symmetry phases. While most interest has been focused on emergent states in systems whose constituent monolayers do not feature…
Symmetry plays a key role in materials hosting Dirac electrons and underpins our ability to completely flatten the Dirac cone through the tuning of physical parameters such as twisting in van der Waals heterostructures. The emergent…
We study various mechanisms of electron transmission across the corrugations in the graphene sheet. The spin dependence of the electron transmission probability in the rippled graphene is found. The electrons mean free path and transmission…
Control over minivalley polarization and interlayer coupling is demonstrated in double bilayer graphene twisted with an angle of 2.37$^\circ$. This intermediate angle is small enough for the minibands to form and large enough such that the…
The distribution of net electric charge in graphene is investigated, using both a constitutive atomic charge-dipole interaction model and an approximate analytical solution to Laplace's equation. We demonstrate a strong size dependence of…
We investigate theoretically the interplay between the effects of a perpendicular electric field and incommensurability at the interface on the electronic properties of a heterostructure of bilayer graphene and a semiconducting substrate…
Twisted graphene bilayers show a complex electronic structure, further modified by interaction effects. The main features can be obtained from effective models, which make use a few phenomenological parameters. We analyze the influence of…
We report on our studies of interacting electrons in bilayer graphene in a magnetic field. We demonstrate that the long range Coulomb interactions between electrons in this material are highly important and account for the band asymmetry in…
We have investigated the electronic structure of charged bilayer and trilayer phoshporene using first-principles, density-functional-theory calculations. We find that the effective dielectric constant for an external electric field applied…
Twisted bilayer graphene (TBG) hosts a rich landscape of electronic phases arising from the interplay between strong electron-electron interactions and nontrivial band topology. While the flat bands near zero energy are central to many…
Effect of electric field on the band structures of graphene/BN and BN/BN bilayers is investigated within the framework of density functional theory. A relatively large degree of modulation is predicted for the graphene/BN bilayer. The…
The nature of the insulating and superconducting states in twisted bilayer graphene systems is intensely debated. While many works seek for explanations in the few flat bands near the Fermi level, theory and a number of experiments suggest…
The existence of strong trigonal warping around the K point for the low energy electronic states in multilayer (N$\geq$2) graphene films and graphite is well established. It is responsible for phenomena such as Lifshitz transitions and…
Twisted double bilayer graphene has recently emerged as an interesting moir\'e material that exhibits strong correlation phenomena that are tunable by an applied electric field. Here we study the atomic and electronic properties of three…
First-principles calculations can accurately describe electron-phonon (e-ph) interactions and electronic transport in a wide range of materials, but are currently limited to unit cells with up to $\sim$100 atoms due to computational cost.…
Twisted bilayer graphene has recently attracted a lot of attention for its rich electronic properties and tunability. Here we show that for very small twist angles, $\alpha \ll 1^\circ$, the application of a perpendicular electric field is…
We study the optical response of the alternating twisted trilayer graphene by making use of a unitary transformation for the trilayer Hamiltonian and the Kubo formulation of linear response theory. The layer-resolved optical conductivities…
The transport properties of a twisted bilayer graphene barrier are investigated for various twist angles. Remarkably, for small twist angles around the magic angle $\theta_m \sim 1.05^{\circ}$, the local currents around the AA-stacked…
Motivated by the recent observation of correlated insulator states and unconventional superconductivity in twisted bilayer graphene, we study the dependence of electron correlations on the twist angle and reveal the existence of strong…
Misoriented bilayer graphene with commensurate angles shows unique magneto-optical properties. The optical absorption spectra of such a system strongly depend on the angle of rotation. For a general commensurate twist angle the absorption…