2008/06/30 by San-Huang Ke, Weitao Yang, Harold U. Baranger · 3 citations
Chemistry · Engineering · Physics and Astronomy · #Annulene #Chemistry #Computational chemistry #Condensed matter physics #Electrical engineering #Interference (communication) #Materials science #Molecular Junctions and Nanostructures #Molecular electronics #Molecular physics #Molecule #Nanotechnology #Physics #Quantum #Quantum and electron transport phenomena #Quantum interference #Quantum mechanics #Quantum tunnelling #Sigma #Surface and Thin Film Phenomena #cond-mat.mes-hall
paper · pdf · doi:10.1021/nl8016175
published in Nano Letters 8(10), 3257-3261 (American Chemical Society) · 5 pages, published version, small revisions
openalex publication_date 2008/09/20 · arxiv created 2009/08/10 · arxiv updated 2009/12/01 · openalex created_date 2025/10/10 · openalex updated_date 2026/08/05
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.