We employ a semi-classical Langevin approach to study current-induced atomic dynamics in a partially dehydrogenated armchair graphene nanoribbon. All parameters are obtained from density functional theory. The dehydrogenated carbon dimers behave as effective impurities, whose motion decouples from the rest of carbon atoms. The electrical current can couple the dimer motion in a coherent fashion...

Physical properties of two-dimensional materials, such as graphene, black phosphorus, molybdenum disulfide (MoS2) and tungsten disulfide, exhibit significant dependence on their lattice orientations, especially for zigzag and armchair lattice orientations. Understanding of the atomic probe motion on surfaces with different orientations helps in the study of anisotropic materials. Unfortunately,...

We perform classical molecular dynamics simulations to investigate the effects of mechanical strain on single-layer black phosphorus nanoresonators at different temperatures. We find that the resonant frequency is highly anisotropic in black phosphorus due to its intrinsic puckered configuration, and that the quality factor in the armchair direction is higher than in the zigzag direction at roo...

We investigate the combined influence of structural defects and uniaxial longitudinal strain on the electronic transport properties of armchair graphene nanoribbons using the numerical approach based on the semiempirical tight-binding model, the Landauer formalism, and the recursion method for Green functions. We calculate the conductance of graphene nanoribbons in the quantum coherent regime w...

We studied experimentally and theoretically the electronic local density of states (LDOS) near single step edges at the surface of exfoliated graphite. In scanning tunneling microscopy measurements, we observed the ( √ 3 × √ 3)R30◦ and honeycomb superstructures both extending over 3−4 nm either from the zigzag or armchair edge. Calculations based on a density-functional derived nonorthogonal ti...

Based on a tight-binding model and a recursive Green's function technique, spin-depentent ballistic transport through tinny graphene sheets (flakes) is studied. The main interest is focussed on: electrical conductivity, giant magnetoresistance (GMR) and shot noise. It is shown that when graphene flakes are sandwiched between two ferromagnetic electrodes, the resulting GMR coefficient may be qui...

A. V. Rozhkov,1,2 S. Savel’ev,2,3 and Franco Nori2,4 1Institute for Theoretical and Applied Electrodynamics, Russian Academy of Sciences, 125412, Moscow, Russia 2Advanced Science Institute, The Institute of Physical and Chemical Research (RIKEN), Wako-shi, Saitama, 351-0198, Japan 3Department of Physics, Loughborough University, Loughborough LE11 3TU, United Kingdom 4Department of Physics, Cent...