arXiv subjects

Massimiliano Di Ventra

Publications and source records attributed to Massimiliano Di Ventra.

160 records · Page 9Linked to original sources

arXiv2007

Microscopic Current Dynamics in Nanoscale Junctions

So far transport properties of nanoscale contacts have been mostly studied within the static scattering approach. The electron dynamics and the transient behavior of current flow, however, remain poorly understood. We present a numerical study of microscopic current flow dynamics in nanoscale quantum point contacts. We employ an approach that combines a microcanonical picture of transport with time-dependent density-functional theory. We carry out atomic and jellium model calculations to show that the time evolution of the current flow exhibits several noteworthy features, such as nonlaminarity and edge flow. We attribute these features to the interaction of the electron fluid with the ionic lattice, to the existence of pressure gradients in the fluid, and to the transient dynamical formation of surface charges at the nanocontact-electrode interfaces. Our results suggest that quantum transport systems exhibit hydrodynamical characteristics which resemble those of a classical liquid.

cond-mat.mes-hall↗

arXiv2007

Local electron heating in nanoscale conductors

The electron current density in nanoscale junctions is typically several orders of magnitude larger than the corresponding one in bulk electrodes. Consequently, the electron-electron scattering rate increases substantially in the junction. This leads to local electron heating of the underlying Fermi sea in analogy to the local ionic heating that is due to the increased electron-phonon scattering rates. We predict the bias dependence of local electron heating in quasi-ballistic nanoscale conductors, its effect on ionic heating, and discuss possible experimental tests of our results.

cond-mat.mes-hall↗

arXiv2007

Hydrodynamic approach to transport and quantum turbulence in nanoscale conductors

The description of electron-electron interactions in transport problems is both analytically and numerically difficult. Here we show that a much simpler description of electron transport in the presence of interactions can be achieved in nanoscale systems. In particular, we show that the electron flow in nanoscale conductors can be described by Navier-Stokes type of equations with an effective electron viscosity, i.e., on a par with the dynamics of a viscous and compressible classical fluid. By using this hydrodynamic approach we derive the conditions for the transition from laminar to turbulent flow in nanoscale systems and discuss possible experimental tests of our predictions.

cond-mat.str-el↗

arXiv2006

Fast DNA Sequencing via Transverse Electronic Transport

A rapid and low-cost method to sequence DNA would usher in a revolution in medicine. We propose and theoretically show the feasibility of a protocol for sequencing based on the distributions of transverse electrical currents of single-stranded DNA while it translocates through a nanopore. Our estimates, based on the statistics of these distributions, reveal that sequencing of an entire human genome could be done with very high accuracy in a matter of hours without parallelization, e.g., orders of magnitude faster than present techniques. The practical implementation of our approach would represent a substantial advancement in our ability to study, predict and cure diseases from the perspective of the genetic makeup of each individual.

cond-mat.soft↗

arXiv2005

Approach to steady state transport in nanoscale conductors

We show, using a tight-binding model and time-dependent density-functional theory, that a quasi-steady state current can be established dynamically in a finite nanoscale junction without any inelastic effects. This is simply due to the geometrical constriction experienced by the electron wavepackets as they propagate through the junction. We also show that in this closed non-equilibrium system two local electron occupation functions can be defined on each side of the nanojunction which approach Fermi distributions with increasing number of atoms in the electrodes. The resultant conductance and current-voltage characteristics at quasi-steady state are in agreement with those calculated within the static scattering approach.

cond-mat.mes-hall↗

arXiv2005

Effect of electron-phonon scattering on shot noise in nanoscale junctions

We investigate the effect of electron-phonon inelastic scattering on shot noise in nanoscale junctions in the regime of quasi-ballistic transport. We predict that when the local temperature of the junction is larger than its lowest vibrational mode energy $eV_c$, the inelastic contribution to shot noise (conductance) increases (decreases) with bias as $V$ ($\sqrt{V}$). The corresponding Fano factor thus increases as $\sqrt{V}$. We also show that the inelastic contribution to the Fano factor saturates with increasing thermal current exchanged between the junction and the bulk electrodes to a value which, for $V>>V_c$, is independent of bias. A measurement of shot noise may thus provide information about the local temperature and heat dissipation in nanoscale conductors.

cond-mat.mes-hall↗

arXiv2005

Current-Induced Effects in Nanoscale Conductors

We present an overview of current-induced effects in nanoscale conductors with emphasis on their description at the atomic level. In particular, we discuss steady-state current fluctuations, current-induced forces, inelastic scattering and local heating. All of these properties are calculated in terms of single-particle wavefunctions computed using a scattering approach within the static density-functional theory of many-electron systems. Examples of current-induced effects in atomic and molecular wires will be given and comparison with experimental results will be provided when available.

cond-mat.mes-hall↗

arXiv2005

Inelastic current-voltage characteristics of atomic and molecular junctions

We report first-principles calculations of the inelastic current-voltage (I-V) characteristics of a gold point contact and a molecular junction in the nonresonant regime. Discontinuities in the I-V curves appear in correspondence to the normal modes of the structures. Due to the quasi-one-dimensional nature of these systems, specific modes with large longitudinal component dominate the inelastic I-V curves. In the case of the gold point contact, our results are in good agreement with recent experimental data. For the molecular junction, we find that the inelastic I-V curves are quite sensitive to the structure of the contact between the molecule and the electrodes thus providing a powerful tool to extract the bonding geometry in molecular wires.

cond-mat.mes-hall↗

arXiv2005

Shot Noise in Nanoscale Conductors From First Principles

We describe a field-theoretic approach to calculate quantum shot noise in nanoscale conductors from first principles. Our starting point is the second-quantization field operator to calculate shot noise in terms of single quasi-particle wavefunctions obtained self-consistently within density functional theory. The approach is valid in both linear and nonlinear response and is particularly suitable in studying shot noise in atomic-scale conductors. As an example we study shot noise in Si atomic wires between metal electrodes. We find that shot noise is strongly nonlinear as a function of bias and it is enhanced for one- and two-Si wires due to the large contribution from the metal electrodes. For longer wires it shows an oscillatory behavior for even and odd number of atoms with opposite trend with respect to the conductance, indicating that current fluctuations persist with increasing wire length.

cond-mat.mes-hall↗

arXiv2005

Dynamical corrections to the DFT-LDA electron conductance in nanoscale systems

Using time-dependent current-density functional theory, we derive analytically the dynamical exchange-correlation correction to the DC conductance of nanoscale junctions. The correction pertains to the conductance calculated in the zero-frequency limit of time-dependent density-functional theory within the adiabatic local-density approximation. In particular, we show that in linear response the correction depends non-linearly on the gradient of the electron density; thus, it is more pronounced for molecular junctions than for quantum point contacts. We provide specific numerical examples to illustrate these findings.

cond-mat.mes-hall↗

arXiv2004

Inelastic effects on the transport properties of alkanethiols

Using first-principles approaches we investigate local heating and the inelastic contribution to the current for various alkanethiols sandwiched between metal electrodes. In the absence of good heat dissipation into the bulk electrodes, we find that the local temperature of the alkanethiols is relatively insensitive to their length. This is due to the rates of heating and cooling processes scaling similarly with length. On the other hand, when considering heat dissipation into the bulk electrodes, the local temperature of alkanethiols decreases as their length increases. We also find that the inelastic scattering profile displays an odd-even effect with length which compares well with experimental results. This effect is due to the alternating direction of the CH3 group motion with respect to current flow with increasing C atoms in the chain, and is very sensitive to the structure of the carbon-sulfur-gold bond. Inelastic scattering profiles can therefore help illuminate the bonding configuration of molecules to metallic surfaces.

cond-mat.mes-hall↗

arXiv2004

Electronic signature of DNA nucleotides via transverse transport

We report theoretical studies of charge transport in single-stranded DNA in the direction perpendicular to the backbone axis. We find that, if the electrodes which sandwich the DNA have the appropriate spatial width, each nucleotide carries a unique signature due to the different electronic and chemical structure of the four bases. This signature is independent of the nearest-neighbor nucleotides. Furthermore, except for the nucleotides with Guanine and Cytosine bases, we find that the difference in conductance of the nucleotides is large for most orientations of the bases with respect to the electrodes. By exploiting these differences it may be possible to sequence single-stranded DNA by scanning its length with conducting probes.

cond-mat.other↗

arXiv2004

Shot noise in parallel wires

We report first-principles calculations of shot noise properties of parallel carbon wires in the regime in which the interwire distance is much smaller than the inelastic mean free path. We find that, with increasing interwire distance, the current approaches rapidly a value close to twice the current of each wire, while the Fano factor, for the same distances, is still larger than the Fano factor of a single wire. This enhanced Fano factor is the signature of the correlation between electron waves traveling along the two different wires. In addition, we find that the Fano factor is very sensitive to bonding between the wires, and can vary by orders of magnitudes by changing the interwire spacing by less than 0.5 Å. While these findings confirm that shot noise is a very sensitive tool to probe electron transport properties in nanoscale conductors, they also suggest that a considerable experimental control of these structures is required to employ them in electronics.

cond-mat.mes-hall↗

arXiv2002

Nonlinear current-induced forces in Si atomic wires

We report first-principles calculations of current-induced forces in Si atomic wires as a function of bias and wire length. We find that these forces are strongly nonlinear as a function of bias due to the competition between the force originating from the scattering states and the force due to bound states. We also find that the average force in the wire is larger the shorter the wire, suggesting that atomic wires are more difficult to break under current flow with increasing length. The last finding is in agreement with recent experimental data.

cond-mat.mes-hall↗

arXiv2001

Switching behavior of semiconducting carbon nanotubes under an external electric field

We investigate theoretically the switching characteristics of semiconducting carbon nanotubes connected to gold electrodes under an external (gate) electric field. We find that the external introduction of holes is necessary to account for the experimental observations. We identify metal-induced-gap states (MIGS) at the contacts and find that the MIGS of an undoped tube would not significantly affect the switching behavior, even for very short tube lengths. We also explore the miniaturization limits of nanotube transistors, and, on the basis of their switching ratio, we conclude that transistors with channels as short as 50Åwould have adequate switching characteristics.

cond-mat.mes-hall↗

arXiv2001

Atomic-Scale Dynamics of the Formation and Dissolution of Carbon Clusters in SiO2

Oxidation of SiC produces SiO2 while CO is released. A `reoxidation' step at lower temperatures is, however, necessary to produce high-quality SiO2. This step is believed to cleanse the oxide of residual C without further oxidation of the SiC substrate. We report first-principles calculations that describe the nucleation and growth of O-deficient C clusters in SiO2 under oxidation conditions, fed by the production of CO at the advancing interface, and their gradual dissolution by the supply of O under reoxidation conditions. We predict that both CO and CO2 are released during both steps.

cond-mat.mtrl-sci↗