Related papers: Ab-initio transport fingerprints for resonant scat…
We show that transport in low-dimensional carbon structures with finite concentrations of scatterers can be modeled by utilising scaling theory and effective cross sections. Our reults are based on large scale numerical simulations of…
We develop a first-principles theory of resonant impurities in graphene and show that a broad range of typical realistic impurities leads to the characteristic sublinear dependence of the conductivity on the carrier concentration. By means…
We propose a unified description of transport in graphene with adsorbates that fully takes into account localization effects and loss of electronic coherence due to inelastic processes. We focus in particular on the role of the scattering…
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…
The chapter generalizes results on influence of uniaxial strain and adsorption on the electron states and charge transport or localization in graphene with different configurations of imperfections (point defects): resonant (neutral)…
We present a detailed numerical study of the electronic properties of single-layer graphene with resonant ("hydrogen") impurities and vacancies within a framework of noninteracting tight-binding model on a honeycomb lattice. The algorithms…
Adsorbates on graphene can create resonances that lead to efficient electron scattering and strongly affect the electronic conductivity. Therefore a proper description of these resonances is important to get a good insight of their effect…
We investigate the diffusive electron-transport properties of charge-doped graphene ribbons and nanoribbons with imperfect edges. We consider different regimes of edge scattering, ranging from wide graphene ribbons with (partially)…
We simulate electron transport through graphene nanoribbons of experimentally realizable size (length L up to 2 micrometer, width W approximately 40 nm) in the presence of scattering at rough edges. Our numerical approach is based on a…
Recent advances in experimental techniques emphasize the usefulness of multiple scanning probe techniques when analyzing nanoscale samples. Here, we analyze theoretically dual-probe setups with probe separations in the nanometer range,…
Understanding phonon scattering by topological defects in graphene is of particular interest for thermal management in graphene-based devices. We present a study that quantifies the roles of the different mechanisms governing defect phonon…
The complete picture of the optical properties of resonant structures, along with the frequency, quality factor, and line shape in the scattering spectra, is determined by the electromagnetic field distribution patterns, which are a kind of…
Adsorbed atoms and molecules play an important role in controlling and tuning the functional properties of two-dimensional (2D) materials. Understanding and predicting this process from theory is challenging because of the need to capture…
We have investigated electron dynamics in top gated graphene by measuring the gate admittance of a diffusive graphene capacitor in a broad frequency range as a function of carrier density. The density of states, conductivity and diffusion…
A general theory is developed to describe graphene with arbitrary number of isolated impurities. The theory provides a basis for an efficient numerical analysis of the charge transport and is applied to calculate the minimal conductivity of…
The optical absorption properties of graphene wrapped dielectric particles have been investigated by using Mie scattering theory and exact multi-scattering method. It is shown that subwavelength strong absorption in infrared spectra can…
Attosecond dynamics of electron transmission through atomically-thin crystalline films is studied with an {\em ab initio} scattering theory. The temporal character of the electron propagation through graphene multilayers is traced to the…
We investigate the transmission properties of quasiperiodic or aperiodic structures based on graphene arranged according to the Cantor sequence. In particular, we have found self-similar behaviour in the transmission spectra, and most…
We consider the transmission of massless Dirac fermions through an array of short range scatterers which are modeled as randomly positioned $\delta$- function like potentials along the x-axis. We particularly discuss the interplay between…
Motivated by the ever-improving performance of deep learning techniques, we design a mixed input convolutional neural network approach to predict transport properties in deformed nanoscale materials using a height map of deformations (from…