相关论文: Efficient simulations with electronic open boundar…
Electronic structures of graphene sheet with different defective patterns are investigated, based on the first principles calculations. We find that defective patterns can tune the electronic structures of the graphene significantly.…
We consider charge transport across a finite graphene flake with a circular antidot defined in its center. The flake is connected to thin metallic armchair nanoribbons and the study covers the energy range within the neighborhood of the…
We investigate the impact of strained nanobubbles on the conductance characteristics of graphene nanoribbons using a combined molecular dynamics - tight-binding simulation scheme. We describe in detail how the conductance, density of…
The conductance through a quantum point contact created by a sharp and hard metal tip on the graphite surface has features which to our knowledge have not been encountered so far in metal contacts or in nanowires. In this paper we first…
We propose and analyze continuous measurements of atom number and atomic currents using dispersive probing in an optical cavity. For an atom-number measurement in a closed system, we relate both the detection noise and the heating rate due…
Unimolecular current rectifiers are fundamental building blocks in organic electronics. Rectifying behavior has been identified in numerous organic systems due to electron-hole asymmetries of orbital levels interfaced by a metal electrode.…
We employ the exact eigenstate basis formalism to study electrical conductivity in graphene, in the presence of short-range diagonal disorder and inter-valley scattering. We find that for disorder strength, $W \ge$ 5, the density of states…
Conductivity of a disorder-free intrinsic graphene is studied to the first order in the long-range Coulomb interaction and is found to be \sigma=\sigma_0(1+0.01 g), where 'g' is the dimensionless ("fine structure") coupling constant. The…
The thermoelectric properties of in plane heterostructures made of Graphene and hexagonal Boron Nitride (BN) have been investigated by means of atomistic simulation. The heterostructures consist in armchair graphene nanoribbons to the sides…
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…
Molecular dynamics simulations at a constant electric potential are an essential tool to study electrochemical processes, providing microscopic information on the structural, thermodynamic, and dynamical properties. Despite the numerous…
Atomically precise armchair graphene nanoribbons of width $N=7$ (7-AGNRs) are investigated by scanning tunneling spectroscopy (STS) on Au(111). The analysis of energy-dependent standing wave patterns of finite length ribbons allows, by…
We investigate the optimal tradeoff between information gained about an unknown coherent state and the state disturbance caused by the measurement process. We propose several optical schemes that can enable this task, and we implement one…
Local curvature, or bending, of a graphene sheet is known to increase the chemical reactivity presenting an opportunity for templated chemical functionalization. Using first principles calculations based on density functional theory (DFT)…
We obtain a novel bound state spectrum of the low energy excitations near the Fermi points of graphene in the presence of a charge impurity. The effects of possible short range interactions induced by the impurity are modelled by suitable…
The electrical characterisation of graphene, either in plane sheets or in properly geometrised form can be approached using non-contact methods already employed for thin film materials. The extraordinary thinness (and, correspondingly, the…
We study the low-energy quantum electrodynamics of electrons and holes, in a thin graphene wire. We develop an effective field theory (EFT) based on an expansion in p/p_T, where p_T is the typical momentum of electrons and holes in the…
Graphene, a two-dimensional (2D) material with unique electronic properties, appears to be an ideal object for the application of surface-science methods. Among them, a family of scanning probe microscopy methods (STM, AFM, KPFM) and the…
Graphene membrane irradiated by weak activating periodic electric field in terahertz range is considered. The corrected formula for the graphene quantum conductivity is found. The obtained formula gives complex conjugate results when…
Stimulated by recent advances in isolating graphene, we discovered that quantum dot can be trapped in Z-shaped graphene nanoribbon junciton. The topological structure of the junction can confine electronic states completely. By varying…