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The relative strength of different proximity spin-orbit couplings in graphene on transition metal dichalcogenides (TMDC) can be tuned via the metal composition in the TMDC layer. While Gr/MoSe$_2$, has a normal gap, proximity to WSe$_2$…
We describe how the out-of-plane dielectric polarizability of monolayer graphene influences the electrostatics of bilayer graphene -- both Bernal (BLG) and twisted (tBLG). We compare the polarizability value computed using density…
We derive the boundary conditions for MoS$_2$ and similar transition-metal dichalcogenide honeycomb (2H polytype) monolayers with the same type of $\mathbf{k}\!\cdot\!\mathbf{p}$ Hamiltonian within the continuum model around the K points.…
We explore the electronic ground states of Bernal-stacked multilayer graphenes using the Hartree-Fock mean-field approximation and the full-parameter band model. We find that the electron-electron interaction tends to open a band gap in…
First principles calculations of magnetic and electronic properties of VSe2 describing the transition between two structural phases(H,T) were performed. Results of the calculations evidence rather low energy barrier ( 0.60 eV for monolayer)…
Motivated by the recent experimental realization of twisted transition metal dichalcogenide bilayers, we study a simplified model driven by different forms of monochromatic light. As a concrete and representative example we use parameters…
The low-energy band-structure of electrons propagating on a lateral surface of a heterostructure consisting of three dimensional topological insulator (TI) and magnetic insulator layers has been calculated. The energy spectrum is highly…
Starting from the effective Hamiltonian arising from the tight binding model, we study the behaviour of low-lying excitations for bilayer graphene placed in periodic external magnetic fields by using irreducible second order supersymmetry…
We study the electronic structure of multilayer graphenes with a mixture of Bernal and rhombohedral stacking and propose a general scheme to understand the electronic band structure of an arbitrary configuration. The system can be viewed as…
We present a compositional and structural investigation of silicene, germanene, and stanene bilayers from first-principles. Due to the staggering of the individual layers, several stacking patterns are possible, most of which are not…
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…
Topological defects in graphene, dislocations and grain boundaries, are still not well understood despites the considerable number of experimental observations. We introduce a general approach for constructing dislocations in graphene…
In this work, we have presented a first principle simulation study on the electronic properties of MoS2/MX2/MoS2 (M=Mo or W; X=S or Se) trilayer heterostrcuture. We have investigated the effect of stacking configuration, bi-axial…
We investigate the band structure of ABCA-tetralayer graphene (ABCA-TTLG) subjected to an external potential $V$ applied between top and bottom layers. Using the tight-binding model, including the nearest $t$ and next-nearest-neighbor $t'$…
The bands of graphite are extremely sensitive to topological defects which modify the electronic structure. In this paper we found non-dispersive flat bands no farther than 10 meV of the Fermi energy in slightly twisted bilayer graphene as…
Placing graphene on SnS2 results in significant charge transfer, on the order of 10^13/cm^2, from the graphene to the SnS2, and the charge transfer results in a negative Schottky barrier contact for electron injection from the graphene into…
Superlattices from twisted graphene mono- and bi-layer systems give rise to on-demand many-body states such as Mott insulators and unconventional superconductors. These phenomena are ascribed to a combination of flat bands and strong…
We study the low-energy electronic structure of heterostructures formed by one sheet of graphene placed on a monolayer of ${\rm NbSe_2}$. We build a continuous low-energy effective model that takes into account the presence of a twist angle…
We study the atomic structure of twisted bilayer graphene, with very small mismatch angles ($\theta \sim 0.28^0$), a topic of intense recent interest. We use simulations, in which we combine a recently presented semi-empirical potential for…
Starting from the zero modes of the single and bilayer graphene Hamiltonians we develop a mechanism to construct the eigenstates and eigenenergies for Landau levels in noncommutative plane. General formulas for the spectrum of energies are…