Metal Nanowires: Quantum Transport, Cohesion, and Stability

When two metal electrodes are separated, a nanometer sized wire (nanowire) is formed just before the contact breaks. The electrical conduction measured during this retraction process shows signs of quantized conductance in units of G_0=2e^2/h. Recent experiments show that the force acting on the wire during separation fluctuates, which has been interpreted as being due to atomic rearrangements. In this report we use a simple free electron model, for two simple geometries, and...

Energetics and conductance in jellium modelled nanowires are investigated using the local-density-functional-based shell correction method. In analogy with studies of other finite-size fermion systems, e.g., simple-metal clusters or He-3 clusters, we find that the energetics of the wire as a function of its radius (transverse reduced dimension) leads to formation of self-selecting magic wire configurations (MWC's, i.e., discrete sequence of wire radii with enhanced stability)...

Based on the recent free electron model for cohesion in narrow metallic constrictions by Stafford et al., we calculate the quantum fluctuations in the cohesive force versus elongation. The fluctuations are dominated by states near the Fermi energy, thus explaining their apparently universal magnitude of order epsilon_F/lambda_F. We present numerical results for the force fluctuations in a simple geometry and show that they are well described by the contributions of a few clas...

In this paper we review the theory of silicon nanowires. We focus on nanowires with diameters below 10 nm, where quantum effects become important and the properties diverge significantly from those of bulk silicon. These wires can be efficiently treated within electronic structure simulation methods and will be among the most important functional blocks of future nanoelectronic devices. Firstly, we review the structural properties of silicon nanowires, emphasizing the close c...

The unusual structural stability of gold nanowires at large separations of gold atoms is explained from first-principles quantum mechanical calculations. We show that undetected light atoms, in particular hydrogen, stabilize the experimentally observed structures, which would be unstable in pure gold wires. The enhanced cohesion is due to the partial charge transfer from gold to the light atoms. This finding should resolve a long-standing controversy between theoretical predi...

We have investigated the stability and conductivity of unsupported, two dimensional infinite gold nanowires using ab-initio density functional theory (DFT). Two dimensional ribbon like nanowires, with 1-5 rows of gold atoms in the non-periodic direction and with different possible structures have been considered. The nanowires with > 2 rows of atoms exhibit dimerization, similar to finite wires, along the non-periodic direction. Our results show that in these zero thickness n...

A general linear stability analysis of simple metal nanowires is presented using a continuum approach which correctly accounts for material-specific surface properties and electronic quantum-size effects. The competition between surface tension and electron-shell effects leads to a complex landscape of stable structures as a function of diameter, cross section, and temperature. By considering arbitrary symmetry-breaking deformations, it is shown that the cylinder is the only ...

The single-particle and interaction effects on the cohesion, electronic transport, and some magnetic properties of metallic nanocylinders have been studied at finite voltages by using a generalized mean-field electron model. The electron-electron interactions are treated in the self-consistent Hartree approximation. Our results show the single-particle effect is dominant in the cohesive force, while the nonzero magnetoconductance and magnetotension coefficients are attributed...

Experimental conductance histograms for Na nanowires are analyzed in detail and compared to recent theoretical results on the stability of cylindrical and elliptical nanowires, using the free-electron model. We find a one-to-one correspondence between the peaks in the histograms and the most stable nanowire geometries, indicating that several of the commonly observed nanowires have elliptical cross sections.

Quasi-one-dimensional superconductors or nanowires exhibit a transition into a nonsuperconducting regime, as their diameter shrinks. We present measurements on ultrashort nanowires (~40-190 nm long) in the vicinity of this quantum transition. Properties of all wires in the superconducting phase, even those close to the transition, can be explained in terms of thermally activated phase slips. The behavior of nanowires in the nonsuperconducting phase agrees with the theories of...