Ab-Initio Simulations of Deformation Potentials and Electron Mobility in Chemically Modified Graphene and two-dimensional hexagonal Boron-Nitride

We present an ab-initio study of electron mobility and electron-phonon coupling in chemically modified graphene, considering fluorinated and hydrogenated graphene at different percentage coverage. Hexagonal Boron Carbon Nitrogen (h-BCN) is also investigated due the increased interest shown by the research community towards this material. In particular, the Deformation Potentials are computed by means of Density Functional Theory (DFT), while the carrier mobility is obtained according to the Takagi model (S. Takagi, A. Toriumi, and H. Tango, IEEE Trans. Electr. Dev. 41, 2363 (1994)). We will show that graphene with a reduced degree of hydrogenation can compete, in terms of mobility, with silicon technology.Comment: 9 pages, 2 figures, 2 table

Enhanced shot noise in carbon nanotube field-effect transistors

We predict shot noise enhancement in defect-free carbon nanotube field-effect transistors through a numerical investigation based on the self-consistent solution of the Poisson and Schrodinger equations within the non-equilibrium Green functions formalism, and on a Monte Carlo approach to reproduce injection statistics. Noise enhancement is due to the correlation between trapping of holes from the drain into quasi-bound states in the channel and thermionic injection of electrons from the source, and can lead to an appreciable Fano factor of 1.22 at room temperature.Comment: 4 pages, 4 figure

Shot noise suppression in quasi one-dimensional Field Effect Transistors

We present a novel method for the evaluation of shot noise in quasi one-dimensional field-effect transistors, such as those based on carbon nanotubes and silicon nanowires. The method is derived by using a statistical approach within the second quantization formalism and allows to include both the effects of Pauli exclusion and Coulomb repulsion among charge carriers. In this way it extends Landauer-Buttiker approach by explicitly including the effect of Coulomb repulsion on noise. We implement the method through the self-consistent solution of the 3D Poisson and transport equations within the NEGF framework and a Monte Carlo procedure for populating injected electron states. We show that the combined effect of Pauli and Coulomb interactions reduces shot noise in strong inversion down to 23 % of the full shot noise for a gate overdrive of 0.4 V, and that neglecting the effect of Coulomb repulsion would lead to an overestimation of noise up to 180 %.Comment: Changed content, 7 pages,5 figure

Engineering interband tunneling in nanowires with diamond cubic or zincblende crystalline structure based on atomistic modeling

We present an investigation in the device parameter space of band-to-band tunneling in nanowires with a diamond cubic or zincblende crystalline structure. Results are obtained from quantum transport simulations based on Non-Equilibrium Green's functions with a tight-binding atomistic Hamiltonian. Interband tunneling is extremely sensitive to the longitudinal electric field, to the nanowire cross section, through the gap, and to the material. We have derived an approximate analytical expression for the transmission probability based on WKB theory and on a proper choice of the effective interband tunneling mass, which shows good agreement with results from atomistic quantum simulation.Comment: 4 pages, 3 figures. Final version, published in IEEE Trans. Nanotechnol. It differs from the previous arXiv version for the title and for some changes in the text and in the reference

Drift velocity peak and negative differential mobility in high field transport in graphene nanoribbons explained by numerical simulations

We present numerical simulations of high field transport in both suspended and deposited armchair graphene nanoribbon (A-GNR) on HfO2 substrate. Drift velocity in suspended GNR does not saturate at high electric field (F), but rather decreases, showing a maximum for F=10 kV/cm. Deposition on HfO2 strongly degrades the drift velocity by up to a factor of 10 with respect to suspended GNRs in the low-field regime, whereas at high fields drift velocity approaches the intrinsic value expected in suspended GNRs. Even in the assumption of perfect edges, the obtained mobility is far behind what expected in two-dimensional graphene, and is further reduced by surface optical phonons.Comment: 4 pages, 4 figure

A semi-analytical model of Bilayer Graphene Field Effect Transistor

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 and to find a device structure with promising performance in terms of transistor operation. Our model, based on the effective mass approximation and ballistic transport assumptions, takes into account bilayer-graphene tunable gap and self polarization, and includes all band-to-band tunneling current components, which are shown to represent the major limitation to transistor operation, because the limited achievable energy gap is not sufficient to obtain a large Ion/Ioff ratio

Simulation of hydrogenated graphene Field-Effect Transistors through a multiscale approach

In this work, we present a performance analysis of Field Effect Transistors based on recently fabricated 100% hydrogenated graphene (the so-called graphane) and theoretically predicted semi-hydrogenated graphene (i.e. graphone). The approach is based on accurate calculations of the energy bands by means of GW approximation, subsequently fitted with a three-nearest neighbor (3NN) sp3 tight-binding Hamiltonian, and finally used to compute ballistic transport in transistors based on functionalized graphene. Due to the large energy gap, the proposed devices have many of the advantages provided by one-dimensional graphene nanoribbon FETs, such as large Ion and Ion/Ioff ratios, reduced band-to-band tunneling, without the corresponding disadvantages in terms of prohibitive lithography and patterning requirements for circuit integration

An ultrafast photodetector driven by interlayer exciton dissociation in a van der Waals heterostructure

E. G. M. acknowledges Juan de la Cierva Incorporacion IJCI-2017-32297 (MINECO/AEI). G.F gratefully acknowledges Graphene Flagship Core 3 (Contract No. 881603).Ultrafast photodetectors based on two-dimensional materials suffer from low responsivities and high dark currents. Interlayer exciton dissociation in type-II vertical heterojunctions of transition metal dichalcogenides is a viable mechanism for achieving higher responsivities with picosecond response times. Here, we propose a novel device concept based on these structures, with potential for self-powered photodetector applications characterized by an unprecedented trade-off between speed and responsivity with zero dark current. In order to assess the realistic performance to be expected in the proposed device, we have purposely devised a simulation approach able to provide a detailed investigation of the physics at play, while showing excellent predictive capabilities when compared with experiments on interlayer exciton transport available in the literature. The proposed high-performance photodetectors with tunable responsivities are at reach with available fabrication techniques and could help in paving the way towards monolithically integrated artificial neural networks for ultrafast machine vision in speed sensitive applications.Juan de la Cierva Incorporacion IJCI-2017-32297Graphene Flagship Core 3 88160