title: A new approach to the realization and control of negative differential resistance in single-molecule nanoelectronic devices: designer transition metal-thiol interface States.
abstract: On the basis of ab initio and semiempirical calculations, we predict single alkane dithiolate molecules bridging transition metal nanoelectrodes (including Pd/Rh, Pt/Rh, and Pt/Pt) to exhibit negative differential resistance (NDR). The mechanism is resonant conduction via interface states arising from hybridization between molecular thiol groups and transition metal d orbitals. We show how the NDR realized in this new way can be controlled by tailoring interface state properties through appropriate choice of nanoelectrode transition metals and surface structures.
authors.affiliation: Department of Physics, Simon Fraser University, Burnaby, British Columbia, Canada V5A 1S6. hmd@sfu.ca
authors.forename: Hugh
authors.initials: H
authors.lastname: Dalgleish
authors.forename: George
authors.initials: G
authors.lastname: Kirczenow
mesh_terms: D003198:Computer Simulation; D017097:Electric Impedance; D004581:Electronics / Q000295:instrumentation*; D004867:Equipment Design; D019544:Equipment Failure Analysis; D008422:Materials Testing; D008839:Microelectrodes; D008956:Models, Chemical; D049329:Nanostructures / Q000737:chemistry*; D036103:Nanotechnology / Q000295:instrumentation* / Q000379:methods; D012666:Semiconductors; D013438:Sulfhydryl Compounds / Q000737:chemistry*; D013499:Surface Properties
chemical_list: D013438:Sulfhydryl Compounds