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cond-mat.mtrl-sci2007
On the formation and the stability of suspended transition metal monatomic chains
A. Hasmy, L. Rincon, R. Hernandez +3
We present a Tight-Binding Molecular Dynamics investigation of the stability, the geometrical and the electronic structure of suspended monatomic transition metal chains. We show t…
cond-mat.mtrl-sci2007
Crystal asymmetry induces single-atom chain formation in gold nanowires
F. Tavazza, A. Hasmy, L. E. Levine +4
We performed density functional theory and tight-binding molecular dynamics calculations to investigate the formation of suspended linear atom chains when stretching gold nanowires…