title: Thermoelectric signatures of coherent transport in single-molecule heterojunctions.
abstract: An exact expression for the heat current in an interacting nanostructure is derived and used to calculate the thermoelectric response of three representative single-molecule junctions formed from isoprene, 1,3-benzenedithiol, and [18]-annulene. Dramatic enhancements of the thermopower S and Lorenz number L are predicted when the junction is tuned across a node in the transmission function, with universal maximum values S(max) = (pi/3(1/2))(k(B)/e) and L(max) = (7pi(2)/5)(k(B)(2)/e(2)). The effect of a finite minimum transmission probability due, e.g., to incoherent processes or additional nonresonant channels, is also considered.
authors.affiliation: College of Optical Sciences, University of Arizona, Tucson, Arizona 85721, USA.
authors.forename: J P
authors.initials: JP
authors.lastname: Bergfield
authors.forename: C A
authors.initials: CA
authors.lastname: Stafford