TY - JOUR

T1 - Lifetimes of metal nanowires with broken axial symmetry

AU - Gong, Lan

AU - Bürki, J.

AU - Stafford, Charles A.

AU - Stein, Daniel L.

N1 - Publisher Copyright:
© 2015 American Physical Society.

PY - 2015/1/5

Y1 - 2015/1/5

N2 - 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 Schrödinger 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.

AB - 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 Schrödinger 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.

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U2 - 10.1103/PhysRevB.91.035401

DO - 10.1103/PhysRevB.91.035401

M3 - Article

AN - SCOPUS:84937145819

VL - 91

JO - Physical Review B-Condensed Matter

JF - Physical Review B-Condensed Matter

SN - 0163-1829

IS - 3

M1 - 035401

ER -