Conductance simulation through single atom junctions at the scanning tunnelling microscope

摘要

Using a Keldish-Green Function formalism we simulate the current flowing through transition and noble metal atoms wires. Such a kind of wire is nowadays experimentally studied with several methods involving mechanically controllable break junction or a scanning tunnelling microscope operating in close contact regime. Our aim is to reproduce the experimental differences found between several materials. Results for Pt, Ni and Au and their comparison with the experiments are discussed.