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

摘要

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