title: Coherent electron transport through an azobenzene molecule: a light-driven molecular switch.
abstract: We apply a first-principles computational approach to study a light-sensitive molecular switch. The molecule that comprises the switch can convert between a trans and a cis configuration upon photoexcitation. We find that the conductance of the two isomers varies dramatically, which suggests that this system has potential application as a molecular device. A detailed analysis of the band structure of the metal leads and the local density of states of the system reveals the mechanism of the switch.
authors.affiliation: Department of Physics and Quantum Theory Project, University of Florida, Gainesville, Florida 32611, USA.
authors.forename: C
authors.initials: C
authors.lastname: Zhang
authors.forename: M-H
authors.initials: MH
authors.lastname: Du
authors.forename: H-P
authors.initials: HP
authors.lastname: Cheng
authors.forename: X-G
authors.initials: XG
authors.lastname: Zhang
authors.forename: A E
authors.initials: AE
authors.lastname: Roitberg
authors.forename: J L
authors.initials: JL
authors.lastname: Krause