Related papers: First-Principles Study on Electron Conduction in S…
We calculate the conductance of tubular-shaped nanowires having many potential scatterers at random positions. Our approach is based on the scattering matrix formalism and our results analyzed within the scaling theory of disordered…
We have studied Peierls instability in an atomically thin wire of sodium atoms using first-principles density-functional methods. A Na wire has a stable uniform linear structure over a range of inter-atomic distances. At smaller…
We demonstrate that it is possible to distinguish two conductance switching mechanisms in silver sulfide devices at room temperature. Experiments were performed using a Ag$_2$S thin film deposited on a wide Ag bottom electrode, which was…
We report a detailed theoretical study of the bonding and conduction properties of an hydrogen molecule joining either platinum or palladium electrodes. We show that an atomic arrangement where the molecule is placed perpendicular to the…
NaAlSi is an sp electron superconductor crystallizing in a layered structure of the anti-PbFCl type with a relatively high transition temperature Tc of ~7 K. Recent electronic state calculations revealed the presence of topological nodal…
Semiconducting diode with nonreciprocal transport effect underlies the cornerstone of contemporary integrated circuits (ICs) technology. Due to isotropic superconducting properties and the lack of breaking of inversion symmetry for…
NaxCoO2 has emerged as a material of exceptional scientific interest due to the potential for thermoelectric applications, and because the strong interplay between the magnetic and superconducting properties has led to close comparisons…
The radial confining potential in a semiconductor nanowire plays a key role in determining its quantum transport properties. Previous reports have shown that an axial magnetic field induces flux-periodic conductance oscillations when the…
We calculate the electrical conductivity of a thin crystalline strip of atoms confined within a quasi one dimensional channel of fixed width. The conductivity shows anomalous behavior as the strip is deformed under tensile loading. Beyond a…
We demonstrate a high electron conductivity (> 10^2 S/cm and up to 10^3 S/cm) of tungsten suboxide W18O(52.4-52.9)(or equivalently WO(2.91-2.94)) nanotubes (2 to 3 nm in diameter, ca. micrometer long). The conductivity is measured in the…
Density functional theory and molecular dynamics simulations have been used to optimize the structure of nanowires of SiO2. The starting structures were based on b-cristobalite, orthotridymite, b-tridymite, and rutile crystals. The analysis…
Gold nanowires generated by mechanical stretching have been shown to adopt only three kinds of configurations where their atomic arrangements adjust such that either the [100], [111] or [110] zone axes lie parallel to the elongation…
A nanochannel subjected to both a potential and concentration gradient has an asymmetric current-voltage, I-V, response with three primary characteristics: the Ohmic conductance, G, the current at zero voltage, I(v=0), and the voltage at…
Others have solved the Schr\"odinger equation to estimate the tunneling current between two electrodes at specified potentials, or the transmission through a potential barrier, assuming that an incident wave causes one reflected wave and…
An elongation method based on ab initio quantum chemistry approaches is presented. It allows to study electronic structures and coherent electron transportation properties of single-walled carbon nanotubes (SWCNTs) up to 22nm in length…
We calculate the conductance of a quantum wire with two occupied subbands in a presence of a barrier taking into account the interaction between electrons. We extend the renormalization-group equation for the scattering matrix of the…
Controlled breakdown has recently emerged as a highly appealing technique to fabricate solid-state nanopores for a wide range of biosensing applications. This technique relies on applying an electric field of approximately 0.6-1 V/nm across…
We induce superconductivity by proximity effect in thin layers of gold and study the number of conduction channels which contribute to the current in one-atom contacts and atomic wires. The atomic contacts and wires are fabricated with a…
Ion transport in extremely narrow nanochannels has gained increasing interest in recent years due to its unique physical properties, and the technological advances that allow us to study them. It is tempting to approach this regime with the…
The electron-transport properties of single-row monoatomic nanowires made of 5$d$ elements are examined by first-principles calculations based on the density functional theory. We found that oscillation patterns with a period longer than…