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Electron transmission and wave functions through junctions with a pair of a pentagonal defect and a heptagonal defect connecting two metallic carbon nanotubes are analyzed by the analytical calculation with the effective mass equation. The…
As an unusual type of anomalous diffusion behavior, (transient) superballistic transport is not well understood but it has been experimentally observed recently. We here calculate the white noise effect (in Markov approximation) on the…
We present an investigation in the device parameter space of band-to-band tunneling in nanowires with a diamond cubic or zincblende crystalline structure. Results are obtained from quantum transport simulations based on Non-Equilibrium…
We report a direct observation of dramatic mass transport due to 1.5 MeV Au2+ ion impact on isolated Au nanostructures of an average size 7.6 nm and a height 6.9 nm that are deposited on Si (111) substrate under high flux (3.2x10^10 to…
The effect on the vibrational and thermal properties of gradually interconnected nanoinclusions embedded in an amorphous silicon matrix is studied using MD simulations. The nanoinclusion arrangement ranges from an aligned sphere array to an…
The thermoelectric properties of 1.6 nm-thick Si square nanowires with [100] crystalline orientation are calculated over a wide temperature range from 0 K to 1000 K, taking into account atomistic electron-phonon interaction. In our model,…
Films made from random nanowire arrays are an attractive choice for electronics requiring flexible transparent conductive films. However, thus far there has been no unified theory for predicting their electrical conductivity. In particular,…
A brief review of the nanoscale free-electron model of metal nanowires is presented. This continuum description of metal nanostructures allows for a unified treatment of cohesive and conducting properties. Conductance channels act as…
We have applied density-functional theory (DFT) based calculations to investigate the size and strain effects on the electronic properties, such as band structures, energy gaps, and effective masses of the electron and the hole, in Si…
Electronic and transport properties of a short Ni nanowire suspended between two semi-infinite ferromagnetic Ni leads are explored in the framework of density-functional theory. The spin-dependent ballistic conductance of the nanowire is…
For analyzing quantum transport in semiconductor devices, accurate electronic structures are critical for quantitative predictions. Here we report theoretical analysis of electronic structures of all III-V zinc-blende semiconductor…
A simple model which combines tight-binding (TB) approximation with parameters derived from first principle calculations is developed for studying the influence of edge passivation and uniaxial strain on electron effective mass of armchair…
Electron transport properties of titanium nanowires were experimentally studied. Below the effective diameter $\lesssim$ 50 nm all samples demonstrated a pronounced broadening of the $R(T)$ dependencies, which cannot be accounted for…
We present first-principles calculations on electron transport through Na nanowires at finite bias voltages. The nanowire exhibits a nonlinear current-voltage characteristic and negative differential conductance. The latter is explained by…
The knowledge of effective masses is a key ingredient to analyze numerous properties of semiconductors, like carrier mobilities, (magneto-)transport properties, or band extrema characteristics yielding carrier densities and density of…
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…
Progressive reduction of the effective diameter of a nanowire is applied to trace evolution of the shape of superconducting transition $R(T)$ in quasi-one-dimensional aluminum structures. In nanowires with effective diameter $\leq$ 15 nm…
The atomic structure and elastic properties of Y-silicon nanowire junctions of fork- and bough-types were theoretically studied and effective Young modulus were calculated using the Tersoff interatomic potential. In the final stages of…
We present numerical calculations of the ballistic spin-transport properties of quasi-one-dimensional wires in the presence of the spin-orbit (Rashba) interaction. A tight-binding analog of the Rashba Hamiltonian which models the Rashba…
We present a comprehensive first-principles study of the ballistic transport properties of low dimensional nanostructures such as linear chains of atoms (Al, C) and carbon nanotubes in presence of defects. A novel approach is introduced…