Alessandro Cresti

Charge transport in disordered graphene-based low dimensional materials

Two-dimensional graphene, carbon nanotubes, and graphene nanoribbons represent a novel class of low dimensional materials that could serve as building blocks for future carbon-based nanoelectronics. Although these systems share a similar underlying electronic structure, whose exact details depend on confinement effects, crucial differences emerge when disorder comes into play. In this review, we consider the transport properties of these materials, with particular emphasis on the case of graphene nanoribbons. After summarizing the electronic and transport properties of defect-free systems, we focus on the effects of a model disorder potential (Anderson-type), and illustrate how transport properties are sensitive to the underlying symmetry. We provide analytical expressions for the elastic mean free path of carbon nanotubes and graphene nanoribbons, and discuss the onset of weak and strong localization regimes, which are genuinely dependent on the transport dimensionality. We also consider the effects of edge disorder and roughness for graphene nanoribbons in relation to their armchair or zigzag orientation.

Quantum Transport in Graphene Nanoribbons: Effects of Edge Reconstruction and Chemical Reactivity

We present first-principles transport calculations of graphene nanoribbons with chemically reconstructed edge profiles. Depending on the geometry of the defect and the degree of hydrogenation, spectacularly different transport mechanisms are obtained. In the case of monohydrogenated pentagon (heptagon) defects, an effective acceptor (donor) character results in strong electron-hole conductance asymmetry. In contrast, weak backscattering is obtained for defects that preserve the benzenoid structure of graphene. Based on a tight-binding model derived from ab initio calculations, evidence for large conductance scaling fluctuations are found in disordered ribbons with lengths up to the micrometer scale.

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 Greens 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.

Range and correlation effects in edge disordered graphene nanoribbons

In this paper, we investigate the impact of edge disorder on the transport properties of graphene nanoribbons with zigzag and armchair symmetries. The diffusive and localization conduction regimes are analysed by performing a mesoscopic study on long disordered ribbons and by extracting elastic mean free paths and localization lengths. At fixed defect density and depending on specific edge disorder profile and ribbon symmetry, we observe strong transport fluctuations resulting in large mobility gaps or robust quasi-ballistic transport. These features are shown to be connected with the topology of edge irregularities as well as their correlation degree. Zigzag nanoribbons are also shown to be more robust than armchairs for similar disorder parameters.

Unveiling the magnetic structure of graphene nanoribbons.

We perform magnetotransport measurements in lithographically patterned graphene nanoribbons down to a 70 nm width. The electronic spectrum fragments into an unusual Landau levels pattern, characteristic of Dirac fermion confinement. The two-terminal magnetoresistance reveals the onset of magnetoelectronic subbands, edge currents and quantized Hall conductance. We bring evidence that the magnetic confinement at the edges unveils the valley degeneracy lifting originating from the electronic confinement. Quantum simulations suggest some disorder threshold at the origin of mixing between chiral magnetic edge states and disappearance of quantum Hall effect.

Edge magnetotransport fingerprints in disordered graphene nanoribbons

We report on (magneto)-transport experiments in chemically derived narrow graphene nanoribbons under high magnetic fields (up to 60 Tesla). Evidences of field-dependent electronic confinement features are given, and allow estimating the possible ribbon edge symmetry. Besides, the measured large positive magnetoconductance indicates a strong suppression of backscattering induced by the magnetic field. Such scenario is supported by quantum simulations which consider different types of underlying disorders (smooth edge disorder and long range Coulomb scatters).

A Comparative Study of Surface-Roughness-Induced Variability in Silicon Nanowire and Double-Gate FETs

We study the effect of surface roughness (SR) at the Si/SiO2 interfaces on transport properties of quasi 1-D and 2-D silicon nanodevices by comparing the electrical performances of nanowire (NW) and double-gate (DG) field-effect transistors. We address a full-quantum analysis based on the 3-D self-consistent solution of the Poisson-Schrödinger equation within the coupled mode-space nonequilibrium Green function (NEGF) formalism. The influence of SR scattering is also compared with phonon (PH) scattering addressed in the self-consistent Born approximation. We analyze transfer characteristics, current spectra, density of states, and low-field mobility of devices with different lateral size, showing that the dimensionality of the quasi 1-D and 2-D structures induces significant differences only for thin silicon thicknesses. Thin NWs are found more sensitive to the SR-induced variability of the threshold voltage with respect to the DG planar transistors.

Broken Symmetries, Zero-Energy Modes, and Quantum Transport in Disordered Graphene: From Supermetallic to Insulating Regimes

The role of defect-induced zero-energy modes on charge transport in graphene is investigated using Kubo and Landauer transport calculations. By tuning the density of random distributions of monovacancies either equally populating the two sublattices or exclusively located on a single sublattice, all conduction regimes are covered from direct tunneling through evanescent modes to mesoscopic transport in bulk disordered graphene. Depending on the transport measurement geometry, defect density, and broken sublattice symmetry, the Dirac-point conductivity is either exceptionally robust against disorder (supermetallic state) or suppressed through a gap opening or by algebraic localization of zero-energy modes, whereas weak localization and the Anderson insulating regime are obtained for higher energies. These findings clarify the contribution of zero-energy modes to transport at the Dirac point, hitherto controversial.

Edge Magneto-Fingerprints in Disordered Graphene Nanoribbons

We report on (magneto)-transport experiments in chemically derived narrow graphene nanoribbons under high magnetic fields (up to 60 Tesla). Evidences of field-dependent electronic confinement features are given, and allow estimating the possible ribbon edge symmetry. Besides, the measured large positive magnetoconductance indicates a strong suppression of backscattering induced by the magnetic field. Such scenario is supported by quantum simulations which consider different types of underlying disorders (smooth edge disorder and long range Coulomb scatters).

Oxygen surface functionalization of graphene nanoribbons for transport gap engineering.

We numerically investigate the impact of epoxide adsorbates on the transport properties of graphene nanoribbons with width varying from a few nanometers to 15 nm. For the wider ribbons, a scaling analysis of conductance properties is performed for adsorbate density ranging from 0.1% to 0.5%. Oxygen atoms introduce a large electron-hole transport asymmetry with mean free paths changing by up to 1 order of magnitude, depending on the hole or electron nature of charge carriers. The opening of a transport gap on the electron side for GNRs as wide as 15 nm could be further exploited to control current flow and achieve larger ON/OFF ratios, despite the initially small intrinsic energy gap. The effect of the adsorbates in narrow ribbons is also investigated by full ab initio calculations to explore the limit of ultimate downsized systems. In this case, the inhomogeneous distribution of adsorbates and their interplay with the ribbon edge are found to play an important role.