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arXiv · 1709.09557

The role of first neighbors geometry in the electronic and mechanical properties of atomic contacts

C. Sabater·W. Dednam·M. R. Calvo·M. A. Fern/'andez·C. Untiedt·M. J. Caturla
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Abstract

We study in detail, by experimental measurements, atomistic simulations and DFT transport calculations, the process of formation and the resulting electronic properties of atomic-sized contacts made of Au, Ag and Cu. Our novel approaches to the data analysis of both experimental results and simulations, lead to a precise relationship between geometry and electronic transmission. We reestablish the significant influence of the number of first neighbors on the electronic properties of atomic-sized contacts. Our results allow us also to interpret subtle differences between the metals during the process of contact formation as well as the characteristics of the resulting contacts.

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C. Sabater, W. Dednam, M. R. Calvo, M. A. Fern/'andez, C. Untiedt, M. J. Caturla. 2017-09-27. The role of first neighbors geometry in the electronic and mechanical properties of atomic contacts. https://doi.org/10.1103/physrevb.97.075418

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