Title

Origin of negative differential resistance in a strongly coupled single molecule-metal junction device

Authors

Ranjit Pati, Michigan Technological UniversityFollow
Mike McClain, Michigan Technological University
Anirban Bandyopadhyay, National Institute for Materials Science, Japan

Document Type

Article

Publication Date

6-16-2008

Abstract

A new mechanism is proposed to explain the origin of negative differential resistance (NDR) in a strongly coupled single molecule-metal junction. A first-principles quantum transport calculation in a Fe-terpyridine linker molecule sandwiched between a pair of gold electrodes is presented. Upon increasing the applied bias, it is found that a new phase in the broken symmetry wave function of the molecule emerges from the mixing of occupied and unoccupied molecular orbitals. As a consequence, a nonlinear change in the coupling between the molecule and the lead is evolved resulting in NDR. This model can be used to explain NDR in other classes of metal-molecule junction devices.

Publisher's Statement

© 2008 American Physical Society. Article deposited here in compliance with publisher policy. Publisher's version of record: https://doi.org/10.1103/PhysRevLett.100.246801

Publication Title

Physical Review Letters

Recommended Citation

Pati, R., McClain, M., & Bandyopadhyay, A. (2008). Origin of negative differential resistance in a strongly coupled single molecule-metal junction device. Physical Review Letters, 100. http://doi.org/10.1103/PhysRevLett.100.246801
Retrieved from: https://digitalcommons.mtu.edu/physics-fp/125

Version

Publisher's PDF