Related papers: First-Principles Study on Electron Conduction in S…
We investigate the elongation and breaking process of metallic nanowires using the ultimate jellium model in self-consistent density-functional calculations of the electron structure. In this model the positive background charge deforms to…
Superconducting micro- and nanohelices are proposed for the first time. A theoretical investigation of the superconducting state in the helical coils at the micro- and nanoscale is performed within the time-dependent Ginzburg-Landau…
Localization of electrons in the two-dimensional electron gas at the LaAlO$_3$/SrTiO$_3$ interface is investigated by varying the channel thickness in order to establish the nature of the conducting channel. Layers of SrTiO$_3$ were grown…
Using a combination of first-principles simulations, based on the density functional theory and Boltzmann's semiclassical theory, we have calculated the transport and thermoelectric properties of the half-metallic two dimensional electron…
The electron-conduction properties of fullerene chains are examined by first-principles calculations based on the density functional theory. The conductivity of the C$_{60}$ dimer is low owing to the constraint of the junction of the…
We demonstrate a theoretical analysis concerning the geometrical structures and electrical conduction of infinite monatomic gold and aluminum wires in the process of their elongation, based on first-principles molecular-dynamics simulations…
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…
Energetics and quantized conductance in jellium modeled nanowires are investigated using the local density functional based shell correction method, extending our previous study of uniform in shape wires [C. Yannouleas and U. Landman, J.…
Single-wall carbon nanotubes are almost ideal systems for the investigation of exotic many-body effects due to non-Fermi liquid behavior of interacting electrons in one dimension. Recent theoretical and experimental results are reviewed…
With the aid of the Friedel sum rule, we perform first-principles calculations of conductances through monatomic Na wires, taking into account the sharp tip geometry and discrete atomic structure of electrodes. We find that conductances (G)…
Understanding of charge transport mechanisms in nanoscale structures is essential for the development of molecular electronic devices. Charge transport through 1D molecular systems connected between two contacts is influenced by several…
Ballistic electron transport is a key requirement for existence of a topological phase transition in proximitized InSb nanowires. However, measurements of quantized conductance as direct evidence of ballistic transport have so far been…
Using spin density functional theory we study the electronic and magnetic properties of atomically thin, suspended chains containing silver and oxygen atoms in an alternating sequence. Chains longer than 4 atoms develop a half-metallic…
The topic of superconductivity in strongly disordered materials has attracted a significant attention. In particular vivid debates are related to the subject of intrinsic spatial inhomogeneity responsible for non-BCS relation between the…
The exploitation of the spin in charge-based systems is opening revolutionary opportunities for device architecture. Surprisingly, room temperature electrical transport through magnetic nanowires is still an unresolved issue. Here, we show…
We report an in-plane optical spectroscopy study on the iron-selenide superconductor K$_{0.75}$Fe$_{1.75}$Se$_2$. The measurement revealed the development of a sharp reflectance edge below T$_c$ at frequency much smaller than the…
Devices made of few molecules constitute the miniaturization limit that both inorganic and organic-based electronics aspire to reach. However, integration of millions of molecular junctions with less than 100 molecules each has been a long…
We used the Hartree-Fock approximation to classify the electronic phases that might occur in a transition metal nanowire. The important features of this situation are orbital degeneracy (or near-degeneracy) and interactions favoring locally…
We report electron transport measurements through nano-scale devices consisting of 1 to 3 Prussian blue analog (PBA) nanocrystals connected between two electrodes. We compare two types of cubic nanocrystals, CsCoFe (15 nm) and CsNiCr (6…
Individual highly pure single crystalline silver nanowires (Ag NWs) were investigated with regard to the electrical conductivity $\sigma$, the thermal conductivity $\lambda$ and the Seebeck coefficient $S$ as function of the temperature $T$…