Lifetimes of metal nanowires with broken axial symmetry

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 1 nm, so that small perturbations from external (usually thermal) noise can cause large geometrical de...

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Veröffentlicht in:Physical review. B, Condensed matter and materials physics Condensed matter and materials physics, 2015-01, Vol.91 (3), Article 035401
Hauptverfasser: Gong, Lan, Bürki, J., Stafford, Charles A., Stein, Daniel L.
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Sprache:eng
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Zusammenfassung: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 1 nm, 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.
ISSN:1098-0121
1550-235X
DOI:10.1103/PhysRevB.91.035401