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Breaking limit of atomic distance in an impurity-free monatomic chain.pdf

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Breaking limit of atomic distance in an impurity-free monatomic chain

Breaking limit of atomic distance in an impurity-free monatomic chain Chang Q. Sun,* C. M. Li, S. Li, and B. K. Tay School of Electrical and Electronic Engineering, Nanyang Technological University, Singapore 639798, Singapore (Received 8 January 2004; revised manuscript received 15 March 2004; published 9 June 2004) An analytical solution shows that the maximal strain of an impurity-free metallic monatomic chain (MC), or a defect-free nanowire (NW), varies inapparently with mechanical stress but apparently with the separation between the melting point fT m sKdg and the temperature of operation in terms of exphfT m sKd?Tg?1j, where K is the dimension of the NW (for a MC, K=1.5). Reconciliation of the measured data of Au-MC breaking limit suggests that the discrepancy in measurement arises from thermal and mechanical fluctuations near the T m of the MC that is s1/4.2d-fold of the bulk value. Findings also favor the mechanism for the high extensibility of a nanograined NW and further indicate that bond unfolding of the lower-coordinated atoms dominates the grain boundary activities, particularly at temperatures approaching surface melting. DOI: 10.1103/PhysRevB.69.245402 PACS number(s): 81.40.Jj, 61.46.1w I. INTRODUCTION Metallic monatomic chains (MC’s) and nanowires (NW’s) have attracted tremendous interest because of their funda- mental significance and fascinating properties such as quan- tum conductance, chemical reactivity, thermal stability, me- chanical strength, and ductility. These are key issues of concern in upcoming technologies such as nanodevices. A metallic MC is an ideal prototype for extensibility study, as the MC involves merely bond stretching without bond un- folding or atomic gliding dislocations, as do atoms in a me- tallic NW consisting of nanograins upon being stretched. 1 Measured using transmission electron microscopy (TEM) at room temperature under tension, the Au-Au bond breaks at a length that varies from 0.29 nm, 2 0.36 nm s±30%d,3 0.35–0