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DIPC–PAMS theory workshop

Towards reality in modelling of molecular electronics

June 13-17, 2016 ▪ Donostia-San Sebastián, Spain

Invited talk

Charge transport through dangling bond nanostructures on Si(2×1):H surfaces

Rafael Gutierrez, Andrii Kleshchonok, G. Cuniberti

1Institute for Materials Science, Dresden University of Technology, 01062 Dresden, Germany

Implementing atomic and molecular scale electronic functionalities represents one of the major challenges in current nano-electronic developments. Engineered dangling bond (DB) nanostructures on Silicon or Germanium surfaces possess the potential to provide novel routes towards the development of non-conventional electronic circuits. These structures are built by selectively removing hydrogen atoms from an otherwise fully passivated Si(100) or Ge(100) substrate. In this presentation we will address charge transport signatures of dangling bond nanostructures, covering (i) quantum interference effects in DB loops, (ii) the implementation of Boolean gates by exploiting quantum interference effects, and (iii) charge transport under the influence of a periodic time-dependent modulation, mimicking irradiation with monochromatic light. We use electronic structure methodologies to address the electronic properties of the DB nanostructures in contact with mesoscopic electrodes combined with Green's function based approaches to deal with charge transport through these nanoscale systems.

[1] A. Kleshchonok, R. Gutierrez, G. Cuniberti, Contact effects and quantum interference in engineered dangling bond loops on silicon surfaces, Nanoscale 7, 13967 (2015).

[2] A. Kleshchonok, R. Gutierrez, C. Joachim, G. Cuniberti, Quantum interference based Boolean gates in dangling bond loops on Si(100):H surfaces, Scientific Reports 5, Article number: 14136 (2015)

[3] A. Kleshchonok, R. Gutierrez, C. Joachim, G. Cuniberti, Photoassisted transport in silicon dangling bond wires, Appl. Phys. Lett. 107, 203109 (2015)