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Field emission from metals underpinned early vacuum-tube technology, and recent nanoscale engineering made field-emission devices compatible with modern silicon platforms. However, the limited tunability of electron transport in metals has…
The atomic structure, energy of formation, and electronic states of vacancies in H-passivated Ge nanocrystals are studied by density functional theory (DFT) methods. The competition between quantum self-purification and the free surface…
We show that, when graphene is subjected to an appropriate one-dimensional external periodic potential, additional branches of massless fermions are generated with nearly the same electron-hole crossing energy as that at the original Dirac…
Graphene is a carbon molecule with the structure of a honeycomb lattice. We show how this structure can arise in two dimensions as the minimizer of an interaction energy with two-body and three-body terms. In the engineering literature, the…
We study the tunneling of chiral electrons in graphene through a region where the electronic spectrum changes from the usual linear dispersion to a hyperbolic dispersion, due to the presence of a gap. It is shown that contrary to the…
We investigate quantum tunneling of charge carriers through a periodic superlattice in twisted bilayer graphene (TBG) with rectangular potential barriers, including the presence of a defect, using a low-energy continuum model. Transmission…
Fractional photon-assisted tunnelling is investigated both numerically and analytically in a double-well lattice. While integer photon-assisted tunnelling is a single-particle effect, fractional photon-assisted tunnelling is an…
Understanding the coupling of graphene with its local environment is critical to be able to integrate it in tomorrow's electronic devices. Here we show how the presence of a metallic substrate affects the properties of an atomically…
Electrons in graphene with heavy adatoms (such as In or Tl) have been predicted to form a 2D topological insulator phase with a substantial spectral gap potentially suitable for future practical applications. In order to facilitate the…
Graphene corrugations affect hybridization of $\pi$ and $\sigma$ orbitals of carbon atoms in graphene based systems. It can as well break differently the symmetry of the electron transfer integrals for different strip boundaries. Using…
We study the effect of atomic relaxation on the structure of moir\'e patterns in twisted graphene on graphite and double layer graphene by large scale atomistic simulations. The reconstructed structure can be described as a superlattice of…
We present a multi-scale density functional theory (DFT) informed molecular dynamics and tight-binding (TB) approach to capture the interdependent atomic and electronic structures of twisted bilayer graphene. We calibrate the flat band…
The electron scattering by the short-range defects in the monolayer graphene is considered in the framework of the flatland model. We analyze the effect of this scattering on the electronic resistivity of the monolayer graphene (direct…
A new class of multilayered functional materials has recently emerged in which the component atomic layers are held together by weak van der Waals forces that preserve the structural integrity and physical properties of each layer. An…
Driven by the growing demand in the energy, medical, and industrial sectors, we investigate a hydrogen isotope separation technique that offers both a high separation factor and economic feasibility. Our findings reveal that filtering…
Nonuniform strain distributions in a graphene lattice can give rise to uniform pseudomagnetic fields and associated pseudo-Landau levels without breaking time-reversal symmetry. We demonstrate that by inducing superconductivity in a…
We study electronic properties of graphene with finite concentration of vacancies or other resonant scatterers by a straightforward lattice Quantum Monte Carlo calculations. Taking into account realistic long-range Coulomb interaction we…
We calculate the electronic structure of AA'AA'...-stacked alternating twist N-layer (tNG) graphene for N = 3, 4, 5, 6, 8, 10, 20 layers and bulk alternating twist (AT) graphite systems where the lattice relaxations are modeled by means of…
Attosecond dynamics of electron transmission through atomically-thin crystalline films is studied with an {\em ab initio} scattering theory. The temporal character of the electron propagation through graphene multilayers is traced to the…
We report the observation of strongly temperature-dependent, asymmetric spectral lines in electronic Raman scattering spectra of graphite in a high magnetic field up to 45 T applied along the c-axis. The magnetic field quantizes the…