Lifetimes of Metal Nanowires with Broken Axial Symmetry

TL;DR

This paper develops a stochastic field theoretical model to analyze the stability and lifetime of monovalent metal nanowires, accounting for thermal noise-induced shape transitions, with numerical results for sodium and gold nanowires.

Contribution

It introduces a novel theoretical framework combining electronic structure calculations and stochastic modeling to predict nanowire lifetimes under thermal fluctuations.

Findings

Lifetimes vary significantly with initial geometry.

The model accurately predicts transition pathways.

Numerical results for sodium and gold nanowires are provided.

Abstract

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.