Finding Destructive Interference Features in Molecular Transport Junctions

ORAL

Abstract

Associating molecular structure with quantum interference features in electrode-molecule-electrode transport junctions has been difficult because existing guidelines for understanding interferences only apply to conjugated hydrocarbons. Herein we use linear algebra and the Landauer-B\"uttiker theory for electron transport to derive a general rule for predicting the existence and locations of interference features. Our analysis illustrates that interferences can be directly determined from the molecular Hamiltonian and the molecule-electrode couplings, and we demonstrate its utility with several examples.

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Authors

  • Matthew Reuter

    • Institute for Advanced Computational Science and Department of Applied Mathematics \& Statistics, Stony Brook University

  • Thorsten Hansen

    • Department of Chemistry, University of Copenhagen