Conductance properties of rough quantum wires with colored surface disorder

Effects of correlated disorder on wave localization have attracted considerable interest. Motivated by the importance of studies of quantum transport in rough nanowires, here we examine how colored surface roughness impacts the conductance of two-dimensional quantum waveguides, using direct scattering calculations based on the reaction matrix approach. The computational results are analyzed in connection with a theoretical relation between the localization length and the structure factor of correlated disorder. We also examine and discuss several cases that have not been treated theoretically or are beyond the validity regime of available theories. Results indicate that conductance properties of quantum wires are controllable via colored surface disorder.Comment: 19 pages, 7 figure

Diffusive Transport in Quasi-2D and Quasi-1D Electron Systems

Quantum-confined semiconductor structures are the cornerstone of modern-day electronics. Spatial confinement in these structures leads to formation of discrete low-dimensional subbands. At room temperature, carriers transfer among different states due to efficient scattering with phonons, charged impurities, surface roughness and other electrons, so transport is scattering-limited (diffusive) and well described by the Boltzmann transport equation. In this review, we present the theoretical framework used for the description and simulation of diffusive electron transport in quasi-two-dimensional and quasi-one-dimensional semiconductor structures. Transport in silicon MOSFETs and nanowires is presented in detail.Comment: Review article, to appear in Journal of Computational and Theoretical Nanoscienc

Surface decorated silicon nanowires: a route to high-ZT thermoelectrics

Based on atomistic calculations of electron and phonon transport, we propose to use surface decorated Silicon nanowires (SiNWs) for thermoelectric applications. Two examples of surface decorations are studied to illustrate the underlying deas: Nanotrees and alkyl functionalized SiNWs. For both systems we find, (i) that the phonon conductance is significantly reduced compared to the electronic conductance leading to high thermoelectric figure of merit, $ZT$, and (ii) for ultra-thin wires surface decoration leads to significantly better performance than surface disorder.Comment: Accepted for PR

Electron mobility in silicon nanowires

The low-field electron mobility in rectangular silicon nanowire (SiNW) transistors was computed using a self-consistent Poisson-Schr\"{o}dinger-Monte Carlo solver. The behavior of the phonon-limited and surface-roughness-limited components of the mobility was investigated by decreasing the wire width from 30 nm to 8 nm, the width range capturing a crossover between two-dimensional (2D) and one-dimensional (1D) electron transport. The phonon-limited mobility, which characterizes transport at low and moderate transverse fields, is found to decrease with decreasing wire width due to an increase in the electron-phonon wavefunction overlap. In contrast, the mobility at very high transverse fields, which is limited by surface roughness scattering, increases with decreasing wire width due to volume inversion. The importance of acoustic phonon confinement is also discussed briefly

Ab initio vibrations in nonequilibrium nanowires

We review recent results on electronic and thermal transport in two different quasi one-dimensional systems: Silicon nanowires (SiNW) and atomic gold chains. For SiNW's we compute the ballistic electronic and thermal transport properties on equal footing, allowing us to make quantitative predictions for the thermoelectric properties, while for the atomic gold chains we evaluate microscopically the damping of the vibrations, due to the coupling of the chain atoms to the modes in the bulk contacts. Both approaches are based on a combination of density-functional theory, and nonequilibrium Green's functions.Comment: 16 pages, to appear in Progress in Nonequilibrium Green's Functions IV (PNGF4), Eds. M. Bonitz and K. Baltzer, Glasgow, August 200

Improved fluid dynamics similarity, analysis and verification Annual report, 29 Jun. 1965 - 28 Jun. 1966

Fluid mechanics and dynamic reactions in liquid flow, single-phase flow, and two-phase flo

On Landauer vs. Boltzmann and Full Band vs. Effective Mass Evaluation of Thermoelectric Transport Coefficients

The Landauer approach to diffusive transport is mathematically related to the solution of the Boltzmann transport equation, and expressions for the thermoelectric parameters in both formalisms are presented. Quantum mechanical and semiclassical techniques to obtain from a full description of the bandstructure, E(k), the number of conducting channels in the Landauer approach or the transport distribution in the Boltzmann solution are developed and compared. Thermoelectric transport coefficients are evaluated from an atomistic level, full band description of a crystal. Several example calculations for representative bulk materials are presented, and the full band results are related to the more common effective mass formalism. Finally, given a full E(k) for a crystal, a procedure to extract an accurate, effective mass level description is presented.Comment: 33 pages, 8 figure