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We present a theoretical approach for understanding the stability of simple metal nanowires, in particular monovalent metals such as the alkalis and noble metals. Their cross sections are of order one nanometer so that small perturbations from external (usually thermal) noise can cause large geometrical deformations. The nanowire lifetime is defined as the time required for making a transition into a state with a different cross-sectional geometry. This can be a simple overall change in radius, or a change in the cross section shape, or both. We develop a stochastic field theoretical model to describe this noise-induced transition process, in which the initial and final states correspond to locally stable states on a potential surface derived by solving the Schrodinger equation for the electronic structure of the nanowire numerically. The numerical string method is implemented to determine the optimal transition path governing the lifetime. Using these results, we tabulate the lifetimes of sodium and gold nanowires for several different initial geometries., Comment: 16 pages, 10 figures

A nanoscale device consisting of a metal nanowire, a dielectric, and a gate is proposed. A combination of quantum and thermal stochastic effects enable the device to have multiple functionalities, serving alternately as a transistor, a variable resistor, or a simple resistive element with $I-V$ characteristics that can switch between ohmic and non-ohmic. By manipulating the gate voltage, stochastic transitions between different conducting states of the nanowire can be induced, with a switching time as short as picoseconds. With an appropriate choice of dielectric, the transconductance of the device can significantly exceed the conductance quantum $G_0=2e^2/h$, a remarkable figure of merit for a device at this lengthscale., Comment: 6 pages, 7 figures

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 delocalized chemical bonds whose breaking is responsible for jumps in the conductance and force oscillations. It is argued that surface and quantum-size effects are the two dominant factors in the energetics of a nanowire, and much of the phenomenology of nanowire stability and structural dynamics can be understood based on the interplay of these two competing factors. A linear stability analysis reveals a sequence of ``magic'' conductance values for which the underlying nanowire geometry is exceptionally stable. The stable configurations include Jahn-Teller deformed wires of broken axial symmetry. The model naturally explains the experimentally observed shell and supershell structures., Comment: To appear in "Handbook of Nanophysics" (ed. K.Sattler) (Taylor & Francis 2010)

An asymptotically exact quantum mechanical calculation of the matrix elements for tunneling through an asymmetric barrier is combined with the two-state statistical model for decay out of superdeformed bands to determine the energy barrier (as a function of spin) separating the superdeformed and normal-deformed wells for several nuclei in the 190 and 150 mass regions. The spin-dependence of the barrier leading to sudden decay out is shown to be consistent with the decrease of a centrifugal barrier with decreasing angular momentum. Values of the barrier frequency in the two mass regions are predicted., Comment: v1: 4 pages, 1 figure, 1 table. v2: 5 pages, 1 figure, 1 table; minor corrections and clarifications

A nanoscale variable resistor consisting of a metal nanowire (active element), a dielectric, and a gate, is proposed. By means of the gate voltage, stochastic transitions between different conducting states of the nanowire can be induced, with a switching time as fast as picoseconds. With an appropriate choice of dielectric, the transconductance of the device, which may also be considered an ``electromechanical transistor,'' is shown to significantly exceed the conductance quantum G_0=2e^2/h, a remarkable figure of merit for a nanoscale device., Comment: 6 pages, 8 figures. This work has been submitted to the IEEE for possible publication. Copyright may be transferred without notice, after which this version will be superseded

A spatially extended classical system with metastable states subject to weak spatiotemporal noise can exhibit a transition in its activation behavior when one or more external parameters are varied. Depending on the potential, the transition can be first or second-order, but there exists no systematic theory of the relation between the order of the transition and the shape of the potential barrier. In this paper, we address that question in detail for a general class of systems whose order parameter is describable by a classical field that can vary both in space and time, and whose zero-noise dynamics are governed by a smooth polynomial potential. We show that a quartic potential barrier can only have second-order transitions, confirming an earlier conjecture [1]. We then derive, through a combination of analytical and numerical arguments, both necessary conditions and sufficient conditions to have a first-order vs. a second-order transition in noise-induced activation behavior, for a large class of systems with smooth polynomial potentials of arbitrary order. We find in particular that the order of the transition is especially sensitive to the potential behavior near the top of the barrier., Comment: 8 pages, 6 figures with extended introduction and discussion; version accepted for publication by Phys. Rev. E

Long, cylindrical metal nanowires have recently been observed to form and be stable for seconds at a time at room temperature. Their stability and structural dynamics is well described by a continuum model, the nanoscale free-electron model, which predicts cylinders in certain intervals of radius to be linearly unstable. In this paper, I study how a small, localized perturbation of such an unstable wire grows exponentially and propagates along the wire with a well-defined front. The front is found to be pulled, and forms a coherent pattern behind it. It is well described by a linear marginal stability analysis of front propagation into an unstable state. In some cases, nonlinearities of the wire dynamics are found to trigger an invasive mode that pushes the front. Experimental procedures that could lead to the observation of this phenomenon are suggested., Comment: 6 pages, 4 figures

We report experiments on aluminum nanowires in ultra-high vacuum at room temperature that reveal a periodic spectrum of exceptionally stable structures. Two "magic" series of stable structures are observed: At low conductance, the formation of stable nanowires is governed by electronic shell effects whereas for larger contacts atomic packing dominates. The crossover between the two regimes is found to be smooth. A detailed comparison of the experimental results to a theoretical stability analysis indicates that while the main features of the observed electron-shell structure are similar to those of alkali and noble metals, a sequence of extremely stable wires plays a unique role in Aluminum. This series appears isolated in conductance histograms and can be attributed to "superdeformed" non-axisymmetric nanowires., Comment: 15 pages, 9 figures

Transmission electron microscopy experiments have recently observed gold metal nanocylinders to thin down in a discrete manner: A kink--a step of order of one atomic layer--nucleates at one end and then moves along the wire, leaving a thinner cylinder behind it. In this paper, I show that a similar thinning process takes place within the nanoscale free-electron model, a structural and dynamical model of nanowires that treats the electron-confinement effects exactly while replacing the atomic structure by a continuum. Electron-shell effects, previously shown to be responsible for the stability of wires with magic radii, favor the formation of kinks connecting magic cylinders. A rich kink dynamics including interkink interactions ensues and is similar to that observed experimentally., Comment: 9 pages, 5 figures. Version accepted for publication by Phys. Rev. B. The section on instability propagation has been removed, and submitted as a separate manuscript (arXiv:0704.2227)

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 generically stable structure. Nevertheless, a plethora of structures with broken axial symmetry is found at low conductance values, including wires with quadrupolar, hexapolar and octupolar cross sections. These non-integrable shapes are compared to previous results on elliptical cross sections, and their material-dependent relative stability is discussed., Comment: 12 pages, 4 figures

In a recent Letter [Appl. Phys. Lett. 87, 103104 (2005)], Yoshida et al. report that nonlinearities in current-voltage curves of gold quantum point contacts occur as a result of a shortening of the distance between electrodes at finite bias, presumably due to thermal expansion. For short wires, the electrode displacement induces a thickening of the wire, as well as nonlinearities of the IV curve, while the radius of long wires is left unchanged, thus resulting in a linear IV curve. We argue here that electron shell effects, which favor wires with certain "magic radii," prevent the thickening of long wires under compression, but have little effect on wires below a critical length., Comment: Version accepted for publication in Applied Physics Letters

Thermally induced conductance jumps of metal nanowires are modeled using stochastic Ginzburg-Landau field theories. Changes in radius are predicted to occur via the nucleation of surface kinks at the wire ends, consistent with recent electron microscopy studies. The activation rate displays nontrivial dependence on nanowire length, and undergoes first- or second-order-like transitions as a function of length. The activation barriers of the most stable structures are predicted to be universal, i.e., independent of the radius of the wire, and proportional to the square root of the surface tension. The reduction of the activation barrier under strain is also determined., Comment: 5 pages, 3 figures

This article presents a brief review of the nanoscale free-electron model, which provides a continuum description of metal nanostructures. It is argued that surface and quantum-size effects are the two dominant factors in the energetics of metal nanowires, and that much of the phenomenology of nanowire stability and structural dynamics can be understood based on the interplay of these two competing factors. A linear stability analysis reveals that metal nanocylinders with certain magic conductance values G=1, 3, 6, 12, 17, 23, 34, 42, 51, 67, 78, 96, ... times the conductance quantum are exceptionally stable. A nonlinear dynamical simulation of nanowire structural evolution reveals a universal equilibrium shape consisting of a magic cylinder suspended between unduloidal contacts. The lifetimes of these metastable structures are also computed., Comment: 8 pages, 6 figures

We develop a generalized grand canonical potential for the ballistic nonequilibrium electron distribution in a metal nanowire with a finite applied bias voltage. Coulomb interactions are treated in the self-consistent Hartree approximation, in order to ensure gauge invariance. Using this formalism, we investigate the stability and cohesive properties of metallic nanocylinders at ultrahigh current densities. A linear stability analysis shows that metal nanowires with certain {\em magic conductance values} can support current densities up to 10^11 A/cm^2, which would vaporize a macroscopic piece of metal. This finding is consistent with experimental studies of gold nanowires. Interestingly, our analysis also reveals the existence of reentrant stability zones--geometries that are stable only under an applied bias., Comment: 12 pages, 6 figures, version published in PRB

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.

We introduce a continuum approach to studying the lifetimes of monovalent metal nanowires. By modelling the thermal fluctuations of cylindrical nanowires through the use of stochastic Ginzburg-Landau classical field theories, we construct a self-consistent approach to the fluctuation-induced `necking' of nanowires. Our theory provides quantitative estimates of the lifetimes for alkali metal nanowires in the conductance range 10 < G/G_0 < 100 (where G_0=2e^2/h is the conductance quantum), and allows us to account for qualitative differences in the conductance histograms of alkali vs. noble metal nanowires.

Using concepts from fluid dynamics, a partial differential equation for the shape evolution of a metallic nanowire is derived from a semiclassical energy functional that includes electron-shell effects. A rich dynamics, involving movement and interaction of kinks connecting locally stable radii, leads to the formation of a wire whose equilibrium shape is universal and consists of a cylindrical part connected to unduloid-like leads. The universality of the equilibrium shape may provide an explanation for the formation of cylindrical nanowires observed in recent experiments., Comment: paper given at the 3rd international conference on "Computational modeling and simulation of materials", may 30-June 4, 2004

A stability analysis of metal nanowires shows that a Jahn-Teller deformation breaking cylindrical symmetry can be energetically favorable, leading to stable nanowires with elliptic cross sections. The sequence of stable cylindrical and elliptical nanowires allows for a consistent interpretation of experimental conductance histograms for alkali metals, including both the shell and supershell structures. It is predicted that for gold, elliptical nanowires are even more likely to form since their eccentricity is smaller than for alkali metals. The existence of certain metastable ``superdeformed'' nanowires is also predicted.

The conducting and thermodynamic properties of ballistic metallic nanocontacts with smooth shapes are investigated. All properties are related to the electronic scattering matrix, which is evaluated in the WKB approximation for independent electrons and in the self-consistent Hartree approximation for interacting electrons. Mesoscopic oscillations of order 1nN in the cohesive force and of order e in the contact charge are predicted when a metallic nanocontact is pulled apart, which are synchronized with quantized jumps in the conductance., Comment: 5 pages, 1 figure; corrected spelling of one author name on abstract page (paper is unchanged)

Convergent semiclassical trace formulae for the density of states and cohesive force of a narrow constriction in an electron gas, whose classical motion is either chaotic or integrable, are derived. It is shown that mode quantization in a metallic point contact or nanowire leads to universal oscillations in its cohesive force: the amplitude of the oscillations depends only on a dimensionless quantum parameter describing the crossover from chaotic to integrable motion, and is of order 1 nano-Newton, in agreement with recent experiments. Interestingly, quantum tunneling is shown to be described quantitatively in terms of the instability of the classical periodic orbits., Comment: corrects spelling of one author name on abstract page (paper is unchanged)