Transport Simulation of Graphene Devices with a Generic Potential in the Presence of an Orthogonal Magnetic Field.

The effect of an orthogonal magnetic field is introduced into a numerical simulator, based on the solution of the Dirac equation in the reciprocal space, for the study of transport in graphene devices consisting of armchair ribbons with a generic potential. Different approaches are proposed to reach this aim. Their efficiency and range of applicability are compared, with particular focus on the requirements in terms of model setup and on the possible numerical issues that may arise. Then, the extended code is successfully validated, simulating several interesting magnetic-related phenomena in graphene devices, including magnetic-field-induced energy-gap modulation, coherent electron focusing, and Aharonov-Bohm interference effects.

Effects of A Magnetic Field on the Transport and Noise Properties of a Graphene Ribbon with Antidots.

We perform a numerical simulation of the effects of an orthogonal magnetic field on charge transport and shot noise in an armchair graphene ribbon with a lattice of antidots. This study relies on our envelope-function based code, in which the presence of antidots is simulated through a nonzero mass term and the magnetic field is introduced with a proper choice of gauge for the vector potential. We observe that by increasing the magnetic field, the energy gap present with no magnetic field progressively disappears, together with features related to commensurability and quantum effects. In particular, we focus on the behavior for high values of the magnetic field: we notice that when it is sufficiently large, the effect of the antidots vanishes and shot noise disappears, as a consequence of the formation of edge states crawling along the boundaries of the structure without experiencing any interaction with the antidots.

Low-voltage 2D materials-based printed field-effect transistors for integrated digital and analog electronics on paper.

Paper is the ideal substrate for the development of flexible and environmentally sustainable ubiquitous electronic systems, which, combined with two-dimensional materials, could be exploited in many Internet-of-Things applications, ranging from wearable electronics to smart packaging. Here we report high-performance MoS2 field-effect transistors on paper fabricated with a "channel array" approach, combining the advantages of two large-area techniques: chemical vapor deposition and inkjet-printing. The first allows the pre-deposition of a pattern of MoS2; the second, the printing of dielectric layers, contacts, and connections to complete transistors and circuits fabrication. Average ION/IOFF of 8 × 103 (up to 5 × 104) and mobility of 5.5 cm2 V-1 s-1 (up to 26 cm2 V-1 s-1) are obtained. Fully functional integrated circuits of digital and analog building blocks, such as logic gates and current mirrors, are demonstrated, highlighting the potential of this approach for ubiquitous electronics on paper.

Inkjet-printed graphene Hall mobility measurements and low-frequency noise characterization.

We report room temperature Hall mobility measurements, low temperature magnetoresistance analysis and low-frequency noise characterization of inkjet-printed graphene films on fused quartz and SiO2/Si substrates. We found that thermal annealing in vacuum at 450 °C is a necessary step in order to stabilize the Hall voltage across the devices, allowing their electrical characterization. The printed films present a minimum sheet resistance of 23.3 Ω sq-1 after annealing, and are n-type doped, with carrier concentrations in the low 1020 cm-3 range. The charge carrier mobility is found to increase with increasing film thickness, reaching a maximum value of 33 cm2 V-1 s-1 for a 480 nm-thick film printed on SiO2/Si. Low-frequency noise characterization shows a 1/f noise behavior and a Hooge parameter in the range of 0.1-1. These results represent the first in-depth electrical and noise characterization of transport in inkjet-printed graphene films, able to provide physical insights on the mechanisms at play.

All-2D Material Inkjet-Printed Capacitors: Toward Fully Printed Integrated Circuits.

A well-defined insulating layer is of primary importance in the fabrication of passive ( e.g., capacitors) and active ( e.g., transistors) components in integrated circuits. One of the most widely known two-dimensional (2D) dielectric materials is hexagonal boron nitride (hBN). Solution-based techniques are cost-effective and allow simple methods to be used for device fabrication. In particular, inkjet printing is a low-cost, noncontact approach, which also allows for device design flexibility, produces no material wastage, and offers compatibility with almost any surface of interest, including flexible substrates. In this work, we use water-based and biocompatible graphene and hBN inks to fabricate all-2D material and inkjet-printed capacitors. We demonstrate an areal capacitance of 2.0 ± 0.3 nF cm-2 for a dielectric thickness of ∼3 µm and negligible leakage currents, averaged across more than 100 devices. This gives rise to a derived dielectric constant of 6.1 ± 1.7. The inkjet printed hBN dielectric has a breakdown field of 1.9 ± 0.3 MV cm-1. Fully printed capacitors with sub-micrometer hBN layer thicknesses have also been demonstrated. The capacitors are then exploited in two fully printed demonstrators: a resistor-capacitor (RC) low-pass filter and a graphene-based field effect transistor.

A tight binding and [Formula: see text] study of monolayer stanene.

Stanene is a single layer of tin atoms which has been discovered as an emerging material for quantum spin Hall related applications. In this paper, we present an accurate tight-binding model for single layer stanene near the Fermi level. We parameterized the onsite and hopping energies for the nearest, second nearest, and third nearest neighbor tight-binding method, both without and with spin orbital coupling. We derived the analytical solution for the [Formula: see text]and [Formula: see text] points and numerically investigated the buckling effect on the material electronic properties. In these points of the reciprocal space, we also discuss a corresponding [Formula: see text] description, obtaining the value of the [Formula: see text] parameters both analytically from the tight-binding ones, and numerically, fitting the ab-initio dispersion relations. Our models provide a foundation for large scale atomistic device transport calculations.

On current transients in MoS2 Field Effect Transistors.

We present an experimental investigation of slow transients in the gate and drain currents of MoS2-based transistors. We focus on the measurement of both the gate and drain currents and, from the comparative analysis of the current transients, we conclude that there are at least two independent trapping mechanisms: trapping of charges in the silicon oxide substrate, occurring with time constants of the order of tens of seconds and involving charge motion orthogonal to the MoS2 sheet, and trapping at the channel surface, which occurs with much longer time constants, in particular when the device is in a vacuum. We observe that the presence of such slow phenomena makes it very difficult to perform reliable low-frequency noise measurements, requiring a stable and repeatable steady-state bias point condition, and may explain the sometimes contradictory results that can be found in the literature about the dependence of the flicker noise power spectral density on gate bias.

Water-based and biocompatible 2D crystal inks for all-inkjet-printed heterostructures.

Exploiting the properties of two-dimensional crystals requires a mass production method able to produce heterostructures of arbitrary complexity on any substrate. Solution processing of graphene allows simple and low-cost techniques such as inkjet printing to be used for device fabrication. However, the available printable formulations are still far from ideal as they are either based on toxic solvents, have low concentration, or require time-consuming and expensive processing. In addition, none is suitable for thin-film heterostructure fabrication due to the re-mixing of different two-dimensional crystals leading to uncontrolled interfaces and poor device performance. Here, we show a general approach to achieve inkjet-printable, water-based, two-dimensional crystal formulations, which also provide optimal film formation for multi-stack fabrication. We show examples of all-inkjet-printed heterostructures, such as large-area arrays of photosensors on plastic and paper and programmable logic memory devices. Finally, in vitro dose-escalation cytotoxicity assays confirm the biocompatibility of the inks, extending their possible use to biomedical applications.

High-performance solution of the transport problem in a graphene armchair structure with a generic potential.

We propose an efficient numerical method to study the transport properties of armchair graphene ribbons in the presence of a generic external potential. The method is based on a continuum envelope-function description with physical boundary conditions. The envelope functions are computed in the reciprocal space, and the transmission is then obtained with a recursive scattering matrix approach. This allows a significant reduction of the computational time with respect to finite difference simulations.

Atomistic boron-doped graphene field-effect transistors: a route toward unipolar characteristics.

We report fully quantum simulations of realistic models of boron-doped graphene-based field-effect transistors, including atomistic details based on DFT calculations. We show that the self-consistent solution of the three-dimensional (3D) Poisson and Schrödinger equations with a representation in terms of a tight-binding Hamiltonian manages to accurately reproduce the DFT results for an isolated boron-doped graphene nanoribbon. Using a 3D Poisson/Schrödinger solver within the non-equilibrium Green's function (NEGF) formalism, self-consistent calculations of the gate-screened scattering potentials induced by the boron impurities have been performed, allowing the theoretical exploration of the tunability of transistor characteristics. The boron-doped graphene transistors are found to approach unipolar behavior as the boron concentration is increased and, by tuning the density of chemical dopants, the electron-hole transport asymmetry can be finely adjusted. Correspondingly, the onset of a mobility gap in the device is observed. Although the computed asymmetries are not sufficient to warrant proper device operation, our results represent an initial step in the direction of improved transfer characteristics and, in particular, the developed simulation strategy is a powerful new tool for modeling doped graphene nanostructures.

Analysis of electron transfer in substituted biphenylmethane.

We present an analysis of electron transfer in a molecular structure containing two phenyl rings connected by a methylene barrier, with the addition of a donor group (NH(2)) on one ring and an acceptor group (NO(2)) on the other. Such molecules are among those currently being considered for the implementation of molecular circuits for information processing. We have performed both a study of the response of electron polarization to the application of an external electrostatic perturbation, and an analysis of the time-dependent behavior of electron transfer across the barrier. A detailed evaluation of the electron affinity and of the ionization energy of the molecular structure under investigation has also been performed, obtaining results that show the inadequacy of representations in terms of simple HOMO and LUMO orbitals.