Two-Stage Formation Model and Helicity of Gold Nanowires

Details Two-Stage Formation Model and Helicity of Gold Nanowires Two-Stage Formation Model and Helicity of Gold Nanowires

2006-11-29

arxiv.org/abs/cond-mat/0611738v2

Phys. Rev. Lett. 99, 125507 (2007)

Physics

Condensed Matter

Materials Science

4 pages, 4 figures. To appear in Phys. Rev. Lett. A PDF file in better graphics is available at http://fujimac.t.u-tokyo.ac.

Scientific paper

10.1103/PhysRevLett.99.125507

A model for formation of helical multishell gold nanowires is proposed and is confirmed with the quantum mechanical molecular dynamics simulations. The model can explain the magic number of the helical gold nanowires in the multishell structure. The reconstruction from ideal non-helical to realistic helical nanowires consists of two stages: dissociations of atoms on the outermost shell from atoms on the inner shell and slip deformations of atom rows generating (111)-like structure on the outermost shell. The elementary processes are governed by competition between energy loss and gain by s- and d-electrons together with the width of the d-band. The possibility for the helical nanowires of platinum, silver and copper is discussed.

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