MATERIALS TRANSACTIONS
Online ISSN : 1347-5320
Print ISSN : 1345-9678
Geometry and Conduction of an Infinite Single-Row Gold Wire
Shigeru TsukamotoTomoya OnoYoshitaka FujimotoKouji InagakiHidekazu GotoKikuji Hirose
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2001 Volume 42 Issue 11 Pages 2257-2260

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Abstract

We investigate the relation between the geometrical structure and electrical conduction of an infinite single-row gold wire in the process of its elongation using first-principles molecular-dynamics simulations based on the real-space finite-difference method. This relation has not been explicitly explained by experiments yet. Our theoretical study predicts that the single-row gold wire ruptures when the average interatomic distance increases to more than 0.30 nm, and that the wire is conductive before breaking but changes to insulator at the rupturing point.

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© 2001 The Japan Institute of Metals and Materials
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