Nanowire Gold Chains: Formation Mechanisms and Conductance

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Structural transformations, electronic spectra and ballistic transport in pulled gold nanowires are investigated with ab initio simulations, and correlated with recent measurements. Strain-induced yield of an initial double-strand wire results first in formation of a bent-chain which transforms upon further elongation to a linear atomic chain exhibiting dimerized atomic configurations. These structures are stabilized by directional local bonding with spd-hybridization. The conductance of the initial double-stranded contact is close to 2g_0 and it drops sharply to 1g_0 during the transformation to a single chain, exhibiting subsequently a 1g_0 plateau extending over an elongation well above typical Au-Au distances.
RevTex, 2 figures, letter in J. Phys. Chem. B., in print (2000)

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Materials Science

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http://salesiana.dossiersoluciones.com/handle/123456789/16762

Consulte el texto completo en el siguiente enlace:

https://arxiv.org/abs/cond-mat/0009154
 http://arxiv.org/abs/cond-mat/0009154

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arXiv