Comment on "Electron transport through correlated molecules computed using the time-independent Wigner function: Two critical tests"

The many electron correlated scattering (MECS) approach to quantum electronic transport was investigated in the linear response regime [I. Baldea and H. Koeppel, Phys. Rev. B. 78, 115315 (2008)]. The authors suggest, based on numerical calculations, that the manner in which the method imposes boundary conditions is unable to reproduce the well-known phenomena of conductance quantization. We introduce an analytical model and demonstrate that conductance quantization is correctly obtained using open system boundary conditions within the MECS approach.Comment: 18 pages, 4 figures. Physical Review B, to appea

Conductance of a molecular wire attached to mesoscopic leads: contact effects

We study linear electron transport through a molecular wire sandwiched between nanotube leads. We show that the presence of such electrodes strongly influences the calculated conductance. We find that depending on the quality and geometry of the contacts between the molecule and the tubular reservoirs, linear transport can be tuned between an effective Newns spectral behavior and a more structured one. The latter strongly depends on the topology of the leads. We also provide analytical evidence for an anomalous behavior of the conductance as a function of the contact strength.Comment: 5 pages, 1 figure, to appear in Acta Physica Polonica

Energy challenges for ICT

The energy consumption from the expanding use of information and communications technology (ICT) is unsustainable with present drivers, and it will impact heavily on the future climate change. However, ICT devices have the potential to contribute signi - cantly to the reduction of CO2 emission and enhance resource e ciency in other sectors, e.g., transportation (through intelligent transportation and advanced driver assistance systems and self-driving vehicles), heating (through smart building control), and manu- facturing (through digital automation based on smart autonomous sensors). To address the energy sustainability of ICT and capture the full potential of ICT in resource e - ciency, a multidisciplinary ICT-energy community needs to be brought together cover- ing devices, microarchitectures, ultra large-scale integration (ULSI), high-performance computing (HPC), energy harvesting, energy storage, system design, embedded sys- tems, e cient electronics, static analysis, and computation. In this chapter, we introduce challenges and opportunities in this emerging eld and a common framework to strive towards energy-sustainable ICT

Determination of complex absorbing potentials from the electron self-energy

The electronic conductance of a molecule making contact to electrodes is determined by the coupling of discrete molecular states to the continuum electrode density of states. Interactions between bound states and continua can be modeled exactly by using the (energy-dependent) self-energy, or approximately by using a complex potential. We discuss the relation between the two approaches and give a prescription for using the self-energy to construct an energy-independent, non-local, complex potential. We apply our scheme to studying single-electron transmission in an atomic chain, obtaining excellent agreement with the exact result. Our approach allows us to treat electron-reservoir couplings independent of single electron energies, allowing for the definition of a one-body operator suitable for inclusion into correlated electron transport calculations.Comment: 11 pages, 8 figures; to be published in the J. Chem. Phy

Electrical performance of III-V gate-all-around nanowire transistors

The performance of III-V inversion-mode and junctionless nanowire field-effect transistors are investigated using quantum simulations and are compared with those of silicon devices. We show that at ultrascaled dimensions silicon can offer better electrical performance in terms of short-channel effects and drive current than other materials. This is explained simply by suppression of source-drain tunneling due to the higher effective mass, shorter natural length, and the higher density of states in the confined channel. We also confirm that III-V junctionless nanowire transistors are more immune to short-channel effects than conventional inversion-mode III-V nanowire field-effect transistors. (C) 2013 AIP Publishing LLC

Ballistic Conductance in Oxidized Si Nanowires

The influence of local oxidation in silicon nanowires on hole transport, and hence the effect of varying the oxidation state of silicon atoms at the wire surface, is studied using density functional theory in conjunction with a Green's function scattering method. For silicon nanowires with growth direction along [110] and diameters of a few nanometers, it is found that the introduction of oxygen bridging and back bonds does not significantly degrade hole transport for voltages up to several hundred millivolts relative to the valence band edge. As a result, the mean free paths are comparable to or longer than the wire lengths envisioned for transistor and other nanoelectronics applications. Transport along [100]-oriented nanowires is less favorable, thus providing an advantage in terms of hole mobilities for [110] nanowire orientations, as preferentially produced in some growth methods

Lattice-dynamical calculation of phonon scattering at a disordered interface

For an fcc crystal with central force interactions and separately for a scalar model on a square lattice, we compute exactly the phonon transmission coefficient $T(\omega)$ through a disordered planar interface between two identical semi - infinite leads. At high frequencies $T(\omega)$ exhibits a strong frequency dependence which is determined by the correlation length of the disorder.Comment: to appear in Physica B, proceedings of the 9th international conference on phonon scatterin