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

• Antragstellerinnen / Antragsteller: Professor Dr. Jamal Berakdar; Professorin Dr. Ingrid Mertig
• Fachliche Zuordnung: Theoretische Physik der kondensierten Materie
• Förderung: Förderung von 2004 bis 2016
• Projektkennung: Deutsche Forschungsgemeinschaft (DFG) - Projektnummer 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-Verfahren: Schwerpunktprogramme
• Teilprojekt zu: SPP 1165: Nanodrähte und Nanoröhren: von kontrollierter Synthese zur Funktion