Related papers: Edge-dependent selection rules in magic triangular…
Linear conductance of junctions formed by graphene flakes with order of nanometer-thick electrodes attached at the corners of the flakes is studied. The explored structures have sizes up to 20000 atoms and the conductance is studied as a…
Optical selection rules for one-dimensional graphene nanoribbons are analytically studied and clarified based on the tight-binding model. A theoretical explanation, through analyzing the velocity matrix elements and the features of…
In graphene, charged defects break the electron-hole symmetry and can even give rise to exotic collapse states when the defect charge exceeds a critical value which is proportional to the Fermi velocity. In this work, we investigate the…
We consider plane junctions with graphene electrodes, which are formed by a single-level system ("molecule") placed between the edges of two single-layer graphene half planes. We calculate the edge Green functions of the electrodes and the…
Using the tight-binding model of graphite, incorporating all Slonczewski-Weiss-McClure parameters, we compute the spectrum of two-dimensional states of electrons bound to a stacking fault in Bernal graphite. We find that those bands retain…
A major hurdle in understanding the phase diagram of twisted bilayer graphene (TBLG) are the roles of lattice relaxation and electronic structure on isolated band flattening near magic twist angles. In this work, the authors develop an…
In this work, we explore the strain and curvature effects on the electronic properties of a curved graphene structure, called the graphene wormhole. The electron dynamics is described by a massless Dirac fermion containing…
We have examined theoretically the electronic band structure and Fermi surface of tetragonal low-temperature superconductor Bi2Pd. Our main results are that (i) the Pd 4d and Bi 6p states determine the main peculiarities of the…
The dependence of the electric resistance R of nanoperforated graphene samples on the position of the Fermi level, which is varied by the gate voltage Vg, has been studied. Nanoperforation has been performed by irradiating graphene samples…
We present results of tight binding calculations demonstrating existence of degenerate electronic shells of Dirac Fermions in narrow, charge neutral graphene quantum rings. We predict removal of degeneracy with finite magnetic field. We…
The electronic structure, specific heat, and thermal conductivity of silicon embedded in a monolayer graphene nanosheet are studied using Density Functional Theory. Two different shapes of the substitutional Si doping in the graphene are…
Geometric and electronic properties of folded graphene nanoribbons (FGNRs) are investigated by first-principles calculations. These properties are mainly dominated by the competition or cooperation among stacking, curvature and edge…
A systemically theoretical study has been presented to explored the crystal structures and electronic characteristics of polycyclic aromatic hydrocarbons (PAHs), such as solid phenanthrene, picene, 1,2;8,9-dibenzopentacene, and…
A theoretical study on the influence of organic functional groups on the electronic properties of graphene related carbon materials was carried out. Here we report, using density functional theory and tight-binding approach, that the best…
We study theoretically the coherent electron focusing in graphene nanoribbons. Using semiclassical and numerical tight binding calculations we show that perfect armchair edges give rise to equidistant peaks in the focusing spectrum. In the…
The electronic structure of quasi-one-dimensional superconductor K$_2$Cr$_3$As$_3$ is studied through systematic first-principles calculations. The ground state of K$_2$Cr$_3$As$_3$ is paramagnetic but very close to a ferromagnetic…
Correlated insulators and superconductivity have been observed in "magic-angle" twisted bilayer graphene, when the nearly flat bands close to neutrality are partially filled. While a momentum-space continuum model accurately describes these…
Modeling the spin-triplet superconductor Sr2RuO4 through a three-orbital tight-binding model we investigate topological properties and edge states assuming chiral p-wave pairing. In concordance with experiments the three Fermi surfaces…
Vibrational properties of graphene nanoribbons are examined with density functional based tight-binding method and non-resonant bond polarization theory. We show that the recently discovered reconstructed zigzag edge can be identified from…
Systematic tight-binding investigations of the electronic spectra (as a function of the magnetic field) are presented for trigonal graphene nanoflakes with reconstructed zigzag edges, where a succession of pentagons and heptagons, that is…