Transport Calculations for Si4 Clusters with Gold single Atom Contacts
Transport Calculations for Si4 Clusters with Gold single Atom Contacts
Kelling, J.; Kerbusch, J.; Erbe, A.; Dietsche, R.; Ganteför, G.; Scheer, E.; Zahn, P.; Gemming, S.
Abstract
We present results for electronic transport through Si4 clusters contacted by single-atom gold contacts attached to <111> fcc-gold leads. The calculations were performed using density functional theory and the non-equilibrium Green's function approach for transport. The simulation setup mimics contacts in mechanically controllable break-junction experiments, which provide data for comparison.
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Poster
DPG-Frühjahrstagung der Sektion Kondensierte Materie, 15.-20.03.2015, Berlin, Deutschland
Permalink: https://www.hzdr.de/publications/Publ-21481