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

Autor:	Pati, Ranjit, McClain, Mike, Bandyopadhyay, Anirban
Rok vydání:	2008
Předmět:	Condensed Matter - Mesoscale and Nanoscale Physics
Druh dokumentu:	Working Paper
DOI:	10.1103/PhysRevLett.100.246801
Popis:	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 applied bias, it is found that a new phase in the broken symmetry wavefunction of the molecule emerges from the mixing of occupied and unoccupied molecular orbital. As a consequence, a non-linear change in the coupling between molecule and lead is evolved resulting to NDR. This model can be used to explain NDR in other class of metal-molecule junction device. Comment: Submitted for review on Feb 4, 2008
Databáze:	arXiv
Externí odkaz:	http://arxiv.org/abs/0803.3342 Zobrazit plný text záznamu View this record from Arxiv