相关论文: Effects due to backscattering and pseudogap featur…
Using a scenario of a hybridized mixture of localized bipolarons and conduction electrons, we demonstrate for the latter the simultaneous appearance of a pseudogap and of strong incoherent contributions to their quasi-particle spectrum…
Using a first principles density functional electronic structure method, we study the energy gaps and magnetism in bilayer graphene nanoribbons as a function of the ribbon width and the strength of an external electric field between the…
By using analytical solution of a tight-binding model for armchair nanoribbons, it is confirmed that the solution represents the standing wave formed by intervalley scattering and that pseudospin is invariant under the scattering. The phase…
We report on the configurations and electronic properties of graphyne and graphdiyne nanoribbons with armchair and zigzag edges investigated with first principles calculations. Our results show that all the nanoribbons are semiconductors…
We investigate the effects of external electric fields on the electronic properties of bilayer armchair graphene nano-ribbons. Using atomistic simulations with Tight Binding calculations and the Non-equilibrium Green function formalism, we…
We investigate electronic transport in the nitrogen-doped graphene containing different configurations of point defects: singly or doubly substituting N atoms and nitrogen-vacancy complexes. The results are numerically obtained using the…
We calculate the spin-dependent zero-bias conductance $G_{\sigma\sigma'}$ in armchair graphene nanoribbons with hydrogen adsorbates employing a DFT-based ab initio transport formalism including spin-orbit interaction. We find that the…
Quantum thermal transport in armchair and zig-zag graphene nanoribbons are investigated in the presence of single atomic vacancies and subject to different boundary conditions. We start with a full comparison of the phonon polarizations and…
We develop a theoretical description of intravalley scattering of quasiparticles in graphene from multiple short-range scatterers of size much greater than the carbon-carbon bond length. Our theory provides a method to rapidly calculate the…
In this paper we present generic properties of quantum transport in mono-layer graphene. In the scheme of the Kubo-Geenwood formula, we compute the square spreading of wave packets of a given energy with is directly related to conductivity.…
Using first-principles density-functional theory, we study the electronic structure of multilayer graphene nanoribbons as a function of the ribbon width and the external electric field, applied perpendicular to the ribbon layers. We…
We investigate the unusual features of the quantum transport in gapped monolayer graphene, which is in a pseudospin symmetry-broken state with a net perpendicular pseudomagnetization. Using these pseudoferromagnets (PFs), we propose a…
The robustness of topological materials against disorder and defects is presumed but has not been demonstrated explicitly in realistic systems. In this work, we use state-of-the-art density functional theory and recursive nonequilibrium…
Recently synthesized two-dimensional graphene-like material referred to as graphenylene is a semiconductor with a narrow direct bandgap that holds great promise for nanoelectronic applications. The significant bandgap increase can be…
The Green functions play a big role in the calculation of the local density of states of the carbon nanostructures. We investigate their nature for the variously oriented and disclinated graphene-like surface. Next, we investigate the case…
Graphene has opened new avenues of research in quantum transport, with potential applications for coherent electronics. Coherent transport depends sensitively on scattering from microscopic disorder present in graphene samples: electron…
We calculate the local current density in pristine armchair graphene nanoribbons (AGNRs) with varying width, $N_\mathrm{C}$, employing a density-functional-theory-based ab initio transport formalism. We observe very pronounced current…
We investigate the density and temperature-dependent conductance of graphene nanoribbons with varying aspect ratio. Transport is dominated by a chain of quantum dots forming spontaneously due to disorder. Depending on ribbon length,…
We present an analytical investigation of the quasi-Coulomb impurity states in a narrow gapped armchair graphene nanoribbon (GNR) in the presence of a uniform external electric field directed parallel to the ribbon axis. The effect of the…
Recently, atomically well-defined cove-shaped graphene nanoribbons have been obtained using bottom-up synthesis. These nanoribbons have an optical gap in the visible range of the spectrum which make them candidates for donor materials in…