Modeling Challenges in Molecular Electronics on Silicon |
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Authors: | T Rakshit G C LIANG A W Ghosh S Datta |
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Affiliation: | (1) School of Electrical and Computer Engineering, Purdue University, W. Lafayette, IN, 47907 |
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Abstract: | Molecular electronics on silicon substrates hold promise for new functional possibilities on silicon. One such possibility is a hybrid silicon-molecule device that shows negative differential resistance (NDR) when conduction through the molecular levels are cut-off as the levels are driven into the silicon band-gap region. We demonstrate through a self-consistent solution based on Non-equilibrium Green’s Function (NEGF) formalism that the NDR peaks show a clear polarity dependence, appearing for only positive bias on a p-doped substrate. We further discuss what determines the position of the NDR peaks and how the locations are affected by self-consistency. |
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Keywords: | molecules silicon NDR Ab-initio NEGF |
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