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
SN - 1098-0121
VL - 91
JO - Physical Review B - Condensed Matter and Materials Physics
JF - Physical Review B - Condensed Matter and Materials Physics
IS - 3
M1 - 035401
ER -