Nonlinear conductance and negative differential resistance of nanowires: A combined model and ab-initio theory

• Applicants: Professor Dr. Jamal Berakdar; Professorin Dr. Ingrid Mertig
• Subject Area: Theoretical Condensed Matter Physics
• Term: from 2004 to 2016
• Project identifier: Deutsche Forschungsgemeinschaft (DFG) - Project number 5429579

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 performed in the ballistic limit based on Landauer theory. The structural relaxation of the atoms 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.

• DFG Programme: Priority Programmes
• Subproject of: SPP 1165: Nanowires and Nanotubes: From Controlled Synthesis to Functions