Related papers: Modeling edge effects in Graphene Nanoribbon Field…
A first-principle model is proposed to study the electrostatic properties of a double-gated silicon slab of nano scale in the framework of density functional theory. The applied gate voltage is approximated as a variation of the…
Bilayer graphene has the very interesting property of an energy gap tunable with the vertical electric field. We propose an analytical model for a bilayer-graphene field-effect transistor, suitable for exploring the design parameter space…
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 Negative Differential Conductivity and Transient Negative Mobility effects in xenon gas are analyzed by a first-principles particle simulation technique and via an approximate solution of the Boltzmann transport equation (BE). The…
In this work, we propose an efficient computational scheme for first-principle quantum transport simulations to evaluate the open-boundary conditions. Its partitioning differentiates from conventional methods in that the contact self-energy…
Recently it was discovered that torsion modes of strained nanoribbons exhibit dissipation dilution, giving a route to enhanced torque sensing and quantum optomechanics experiments. As with all strained nanomechanical resonators, an…
A yet unexplored area in graphene electronics is the field of quantum ballistic transport through graphene nanostructures. Recent developments in the preparation of high mobility graphene are expected to lead to the experimental…
We theoretically investigate the electron transport in armchair and zigzag graphene nanoribbons (GNRs) chemically functionalized with p-polyphenyl and polyacene groups of increasing length. Our nearest-neighbor tight-binding calculations…
The transmission properties of armchair graphene nanoribbon junctions between graphene electrodes are investigated by means of first-principles quantum transport calculations. First the dependence of the transmission function on the size of…
We introduce a technique to calculate thermal conductivity in disordered nanostructures: a finite-difference time-domain (FDTD) solution of the elastic wave equation combined with the Green-Kubo formula. The technique captures phonon wave…
The characteristics of energy band spectrum of armchair graphene nanoribbons in presence of line defect are analyzed within a simple non-interacting tight-binding framework. In metallic nanoribbons an energy gap may or may not appear in the…
We present an atomistic 3D simulation study of the performance of graphene nanoribbon (GNR) Schottky barrier (SB) FETs and transistors with doped reservoirs (MOSFETs) by means of the self-consistent solution of the Poisson and Schrodinger…
We investigate theoretically the performance advantages of all-graphene nanoribbon field-effect transistors (GNRFETs) whose channel and source/drain (contact) regions are patterned monolithically from a two-dimensional single sheet of…
Results of classical force field geometry optimizations for twisted graphene nanoribbons with a number of twists $N_t$ varying from 0 to 7 (the case $N_t$=1 corresponds to a half-twist M\"obius nanoribbon) are presented in this work. Their…
We report a theoretical low-field magnetotransport study unveiling the effect of pseudospin in realistic models of weakly disordered graphene-based materials. Using an efficient Kubo computational method, and simulating the effect of…
In this work we study thermoelectric properties of graphene nanoribbons with side-attached organic molecules. By adopting a single-band tight binding Hamiltonian and the Green's function formalism, we calculated the transmission and Seebeck…
Using the Green's dyad technique based on cuboidal meshing, we compute the electromagnetic field scattered by metal nanorods with high aspect ratio. We investigate the effect of the meshing shape on the numerical simulations. We observe…
Based on density functional theory (DFT), we have developed algorithms and a program code to investigate the electron transport characteristics for a variety of nanometer scaled devices in the presence of an external bias voltage. We…
A general solution for the electrostatic potential in an atomic-thin-body (ATB) field-effect transistor geometry is presented. The effective electrostatic scaling length, {\lambda}eff, is extracted from the analytical model, which cannot be…
Among their amazing properties, graphene and related low-dimensional materials show quantized charge-density fluctuations--known as plasmons--when exposed to photons or electrons of suitable energies. Graphene nanoribbons offer an enhanced…