Ballistische Leitfähigkeit von suspendierten Nanodrähten: Eine ab-inito-Beschreibung

The aim of this proposal is the investigation of transport properties of suspended metallic chains (nanocontacts). The systems are described by means of an ab initio method based on density functional theory. Using a Greens function method we are able to describe the nanowire suspended between two semi-infinite leads. The transport calculations are per-formed in the ballistic limit based on Landauer theory. The structural relaxation of the at-oms in the wire is fully taken into account. The investigations are performed for metallic and ferromagnetic systems. The calculations allow an material-specific insight into the microscopic processes behind the conductance of a nanocontact.