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

Published 2017-09-27Version 1

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.