Silicon-based molecular electronics

Details Silicon-based molecular electronics Silicon-based molecular electronics

2003-05-30

arxiv.org/abs/cond-mat/0305695v1

Physics

Condensed Matter

Mesoscale and Nanoscale Physics

Author list is reverse alphabetical. All authors contributed equally. Email: rakshit/liangg/ ghosha/datta@ecn.purdue.edu

Scientific paper

Molecular electronics on silicon has distinct advantages over its metallic counterpart. We describe a theoretical formalism for transport through semiconductor-molecule heterostructures, combining a semi-empirical treatment of the bulk silicon bandstructure with a first-principles description of the molecular chemistry and its bonding with silicon. Using this method, we demonstrate that the presence of a semiconducting band-edge can lead to a novel molecular resonant tunneling diode (RTD) that shows negative differential resistance (NDR) when the molecular levels are driven by an STM potential into the semiconducting band-gap. The peaks appear for positive bias on a p-doped and negative for an n-doped substrate. Charging in these devices is compromised by the RTD action, allowing possible identification of several molecular highest occupied (HOMO) and lowest unoccupied (LUMO) levels. Recent experiments by Hersam et al. [1] support our theoretical predictions.

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