Related papers: Silicon nanowire band gap modification
Semiconducting single-walled carbon nanotubes are studied in the diffusive transport regime. The peak mobility is found to scale with the square of the nanotube diameter and inversely with temperature. The maximum conductance, corrected for…
We have calculated the effects of structural distortions of armchair carbon nanotubes on their electrical transport properties. We found that the bending of the nanotubes decreases their transmission function in certain energy ranges and…
Density functional theory calculations for the electronic structures of the 4H-SiC(0001)/SiO$_2$ interface with atomic-scale steps are carried out to investigate the effect of NO annealing. The characteristic behavior of the conduction band…
Nanoscale size-effects drastically alter the fundamental properties of semiconductors. Here, we investigate the dominant role of quantum confinement in the field-effect device properties of free-standing InAs nanomembranes with varied…
We investigate curvature effects on geometric parameters, energetics and electronic structure of zigzag nanotubes with fully optimized geometries from first-principle calculations. The calculated curvature energies, which are inversely…
By using molecular dynamics simulations, we study thermal conductivity of silicon nanowires (SiNWs) with different cross sectional geometries. It is found that thermal conductivity decreases monotonically with the increase of…
Bilayer graphene has drawn significant attention due to the opening of a band gap in its low energy electronic spectrum, which offers a promising route to electronic applications. The gap can be either tunable through an external electric…
High intrinsic mobility and small, biologically-compatible size make single-walled carbon nanotubes (SWNTs) in demand for the next generation of electronic devices. Further, the wide range of available bandgaps due to changes in diameter…
Transmission electron microscopy experiments have recently observed gold metal nanocylinders to thin down in a discrete manner: A kink--a step of order of one atomic layer--nucleates at one end and then moves along the wire, leaving a…
Graphene nanoribbons are the counterpart of carbon nanotubes in graphene-based nanoelectronics. We investigate the electronic properties of chemically modified ribbons by means of density functional theory. We observe that chemical…
The effects of an atomistic interface roughness in n-type silicon nanowire transistors (SiNWT) on the radio frequency performance are analyzed. Interface roughness scattering (IRS) is statistically investigated through a three dimensional…
We propose a new variety of silicon quantum dots containing fullerene-derived hollows of nearly arbitrary symmetry. Conglomerate structures are designed by connecting the quantum dots through two kinds of junctions. The quantum confinement…
The electronic properties of hydrogenated, spherical, Si/Ge and Ge/Si core-shell nanocrystals with a diameter ranging from 1.8 to 4.0 nm are studied within Density Functional Theory. Effects induced by quantum confinement and strain on the…
We systematically investigate the relationships between structural and electronic effects of finite size zigzag or armchair carbon nanotubes of various diameters and lengths, starting from a molecular template of varying shape and diameter,…
The curvature effects in carbon nanotubes are studied analytically as a function of chirality. The pi-orbitals are found to be significantly rehybridized in all tubes, so that they are never normal to the tubes' surface. This results in a…
Recent discoveries have spurred the theoretical prediction and experimental realization of novel materials that have topological properties arising from band inversion. Such topological insulators are insulating in the bulk but have…
We have investigated the interplay between band inversion and size quantization in spherically shaped nanoparticles made from topological-insulator (TI) materials. A general theoretical framework is developed based on a versatile…
We show that in a magnetic nanowire with double magnetic domain walls, quantum interference results in spin-split quasistationary states localized mainly between the domain walls. Spin-flip-assisted transmission through the domain structure…
We investigate the low-lying excitation spectrum and ground-state properties of narrow graphene nanoribbons with zigzag edge configurations. Nanoribbons of comparable widths have been synthesized very recently [P. Ruffieux, \emph{et al.}…
Using first-principles density functional calculations, we investigated work functions (WFs) of thin double-walled nanotubes (DWNTs) with outer tube diameters ranging from 1nm to 1.5nm. The results indicate that work function change within…