1998/12/22 by J. A. Torres, José Antonio Garrido Torres, Erio Tosatti +10 · 8 citations
Engineering · Materials Science · Physics and Astronomy · #Graphene research and applications #Molecular Junctions and Nanostructures #Quantum and electron transport phenomena #cond-mat.mtrl-sci
paper · pdf · doi:10.1016/s0039-6028(99)00333-7
4 figures
arxiv created 1998/12/22 · openalex publication_date 1999/05/01 · arxiv updated 2009/11/30 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28
We have examined theoretically the spontaneous thinning process of tip-suspended nanowires, and subsequently studied the structure and stability of the monatomic gold wires recently observed by Transmission Electron Microscopy (TEM). The methods used include thermodynamics, classical many-body force simulations, Local Density (LDA) and Generalized Gradient (GGA) electronic structure calculations as well as ab-initio simulations including the two tips. The wire thinning is well explained in terms of a thermodynamic tip suction driving migration of surface atoms from the wire to the tips. For the same reason the monatomic wire becomes progressively stretched. Surprisingly, however, all calculations so far indicate that the stretched monatomic gold wire should be unstable against breaking, contrary to the apparent experimental stability. The possible reasons for the observed stability are discussed.