Related papers: Theoretical Analysis on Pseudo-Degenerate Zero-Ene…
We found good reversibility of hydrogen uptake-release in vacancy-centered hexagonal armchair nanographene (VANG) based on density functional theory calculation. VANG has a triply hydrogenated vacancy (V$_{111}$) at the center and acts as a…
The density of states, $\varrho(E)$, of graphene is investigated within the tight binding (H\"uckel) approximation in the presence of vacancies. They induce a non-vanishing density of zero modes, $n_\text{zm}$, that act as midgap states:…
We investigate the magnetic minibands of a heterostructure consisting of bilayer graphene (BLG) and hexagonal boron nitride (hBN) by numerically diagonalizing a two-band Hamiltonian that describes electrons in BLG in the presence of a moire…
Electron correlation effects caused by the topological zero mode of a hydrogenated graphene vacancy, $V_{111}$, with three adsorbed hydrogen atoms is discussed theoretically. A Kondo model is derived from the multi-reference representation…
Armchair and zigzag edge terminations in planar hexagonal and trigonal graphene nanorings are shown to underlie one-dimensional topological states associated with distinctive energy gaps and patterns (e.g., linear dispersion of the energy…
Bilayer graphene in a magnetic field supports eight zero-energy Landau levels, which, as a tunable band gap develops, evolve into two nearly-degenerate quartets separated by the band gap. A close look is made into the properties of such an…
We present a tight-binding theory of triangular graphene quantum dots (TGQD) with zigzag edge and broken sublattice symmetry in external magnetic field. The lateral size quantization opens an energy gap and broken sublattice symmetry…
The low-energy spectrum of graphene nanoribbons with armchair edges (armchair nanoribbons) is described as the superposition of two non-equivalent Dirac points of graphene. In spite of the lack of well-separated two valley structures, the…
Density functional theory calculations are used to investigate the electronic structures of localized states at reconstructed armchair graphene edges. We consider graphene nanoribbons with two different edge types and obtain the energy band…
The study of open-shell nanographenes has relied on a paradigm where spins are the only low-energy degrees of freedom. Here we show that some nanographenes can host low-energy excitations that include strongly coupled spin and orbital…
A zigzag edge of a graphene nanoribbon supports localized zero modes, ignoring interactions. Based mainly on mean field arguments and numerical approaches, it has been suggested that interactions can produce a large magnetic moment on the…
Magnetic confinement in graphene has been of recent and growing interest because its potential applications in nanotechnology. In particular, the observation of the so called magnetic edge states in graphene has opened the possibility to…
We address the electronic structure and magnetic properties of vacancies and voids both in graphene and graphene ribbons. Using a mean field Hubbard model, we study the appearance of magnetic textures associated to removing a single atom…
We present symmetry properties of the lattice vibrations of graphene nanoribbons with pure armchair (AGNR) and zigzag edges (ZGNR). In non-symmorphic nanoribbons the phonon modes at the edge of the Brillouin zone are twofold degenerate,…
Valley-dependent topological physics offers a promising avenue for designing nanoscale devices based on gapless single-layer graphene. To demonstrate this potential, we investigate an electrical bias-controlled topological discontinuity in…
Graphene nanoribbons present diverse electronic properties ranging from semiconducting to half-metallic, depending on their geometry, dimensions and chemical composition. Here we present a route to control these properties via externally…
Bilayer graphene in a magnetic field supports eight zero-energy Landau levels, which, as a tunable band gap develops, split into two nearly-degenerate quartets separated by the band gap. A close look is made into the properties of such an…
We report the emergence of electronic edge states in time-periodically driven strained armchair terminated graphene nanoribbons. This is done by considering a short-pulse spatial-periodic strain field. Then, the tight-binding Hamiltonian of…
The electromagnetic response of bilayer graphene in a magnetic field is studied in comparison with that of monolayer graphene. Both types of graphene turn out to be qualitatively quite similar in dielectric and screening characteristics,…
We have derived a general rule for the appearance of zero-energy modes in super-chiral defective nanographene. This so-called "super-zero-sum rule" defines the appearance of zero modes in a new class of materials, which we call polymerized…