Communication: Finding destructive interference features in molecular transport junctions.
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-Büttiker 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.
Department of Chemistry, Northwestern University, Evanston, Illinois 60208, USA.
Matthew G
MG
Reuter
Department of Chemistry, H. C. Ørsted Institute, University of Copenhagen, DK 2100 Copenhagen, Denmark.
Thorsten
T
Hansen