title: Quantum-interference-controlled molecular electronics.
abstract: Quantum interference in coherent transport through single molecular rings may provide a mechanism to control the current in molecular electronics. We investigate its applicability, using a single-particle Green function method combined with ab initio electronic structure calculations. We find that the quantum interference effect (QIE) is strongly dependent on the interaction between molecular pi-states and contact sigma-states. It is masked by sigma tunneling in small molecular rings with Au leads, such as benzene, due to strong pi-sigma hybridization, while it is preserved in large rings, such as [18]annulene, which then could be used to realize quantum interference effect (QIE) transistors.
authors.affiliation: Department of Chemistry, Duke University, Durham, North Carolina 27708-0354, USA. shke@duke.edu
authors.forename: San-Huang
authors.initials: SH
authors.lastname: Ke
authors.forename: Weitao
authors.initials: W
authors.lastname: Yang
authors.forename: Harold U
authors.initials: HU
authors.lastname: Baranger