TY - JOUR
T1 - Nonequilibrium quantum transport properties of organic molecules on silicon
AU - Lu, Wenchang
AU - Meunier, Vincent
AU - Bernholc, J.
PY - 2005/11/11
Y1 - 2005/11/11
N2 - 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.
AB - 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.
UR - http://www.scopus.com/inward/record.url?scp=28844453206&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=28844453206&partnerID=8YFLogxK
U2 - 10.1103/PhysRevLett.95.206805
DO - 10.1103/PhysRevLett.95.206805
M3 - Article
AN - SCOPUS:28844453206
SN - 0031-9007
VL - 95
JO - Physical review letters
JF - Physical review letters
IS - 20
M1 - 206805
ER -