Metal Nanowires: Quantum Transport, Cohesion, and Stability

The scattering-based approach for calculating the ballistic conductance of open quantum systems is generalized to deal with magnetic transition metals as described by ultrasoft pseudo-potentials. As an application we present quantum-mechanical conductance calculations for monatomic Co and Ni nanowires with a magnetization reversal. We find that in both Co and Ni nanowires, at the Fermi energy, the conductance of $d$ electrons is blocked by a magnetization reversal, while the ...

Coupled quasi-one-dimensional (quasi-1D) electron systems host rich emergent physics that cannot be accounted for by understanding isolated 1D electron systems alone. Open questions remain about how transport in these arrays can be manipulated by the application of external electric and magnetic fields. In this theoretical study, we consider a pair of coupled nanowires with non-interacting electrons. We find that a metal-insulator transition is induced by an out-of-plane magn...

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 direction. We have analyzed the relationship between structural rearrangements and electronic transport behavior during the elongation of Au nanowires for each of the three possibilities. We have used two independent experiments to tackle this pro...

Single crystal ZnO nanowires doped with indium are synthesized via the laser-assisted chemical vapor deposition method. The conductivity of the nanowires is measured at low temperatures in magnetic fields both perpendicular and parallel to the wire axes. A quantitative fit of our data is obtained, consistent with the theory of a quasi-one-dimensional metallic system with quantum corrections due to weak localization and electron-electron interactions. The anisotropy of the mag...

A unified treatment of the cohesive and conducting properties of metallic nanostructures in terms of the electronic scattering matrix is developed. A simple picture of metallic nanocohesion in which conductance channels act as delocalized chemical bonds is derived in the jellium approximation. Universal force oscillations of order epsilon_F/lambda_F are predicted when a metallic quantum wire is stretched to the breaking point, which are synchronized with quantized jumps in th...

Metal-semiconductor contacts play a key role in electronics. Here we show that for quasi-one dimensional (Q1D) structures such as nanotubes and nanowires, side contact with the metal only leads to weak band realignment, in contrast with bulk metal-semiconductor contacts. Schottky barriers are much reduced compared with the bulk limit, and should facilitate the formation of good contacts. However, the conventional strategy of heavily doping the semiconductor to obtain Ohmic co...

A quantum phase transition (QPT) between distinct ground states of matter is a wide-spread phenomenon in nature, yet there are only a few experimentally accessible systems where the microscopic mechanism of the transition can be tested and understood. These cases are unique and form the experimentally established foundation for our understanding of quantum critical phenomena. Here we report the discovery that a magnetic-field-driven QPT in superconducting nanowires - a protot...

The higher the energy of a particle is above equilibrium the faster it relaxes due to the growing phase-space of available electronic states it can interact with. In the relaxation process phase coherence is lost, thus limiting high energy quantum control and manipulation. In one-dimensional systems high relaxation rates are expected to destabilize electronic quasiparticles. We show here that the decoherence induced by relaxation of hot electrons in one-dimensional semiconduc...

Analytical expressions for the magnetization and the longitudinal conductivity of nanowires are derived in a magnetic field, B. We show that the interplay between size and magnetic field energy-level quantizations manifests itself through novel magnetic quantum oscillations in metallic nanowires. There are three characteristic frequencies of de Haas-van Alphen (dHvA) and Shubnikov-de Haas (SdH) oscillations, F=F_0,F_1, and F_2 in contrast with a single frequency F'_0 in simpl...

We report on a theoretical study of quantum charge transport in atomistic models of silicon nanowires with surface roughness-based disorder. Depending on the nanowires features (length, roughness profile) various conduction regimes are explored numerically by using efficient real space order N computational approaches of both Kubo-Greenwood and Landauer-Buttiker transport frameworks. Quantitative estimations of the elastic mean free paths, charge mobilities and localization l...