Nonequilibrium quantum transport properties of organic molecules on silicon

Wenchang Lu, Vincent Meunier, J. Bernholc

Research output: Contribution to journalArticlepeer-review

71 Scopus citations


Electron transport properties of a Si/organic-molecule/Si junction are investigated by large-scale nonequilibrium Green function calculations. The results provide a qualitative picture and quantitative understanding of the importance of self-consistent screening, broadening of quasimolecular orbitals under large bias, and enhancement of transmission, which occurs when the broadened lowest unoccupied molecular orbital aligns with the conduction band edge of the negative lead. The varying coupling can lead to negative differential resistance for a large class of small molecules.

Original languageEnglish (US)
Article number206805
JournalPhysical review letters
Issue number20
StatePublished - Nov 11 2005

All Science Journal Classification (ASJC) codes

  • General Physics and Astronomy


Dive into the research topics of 'Nonequilibrium quantum transport properties of organic molecules on silicon'. Together they form a unique fingerprint.

Cite this