1.
Phys Rev Lett
; 100(24): 246801, 2008 Jun 20.
Artigo
em Inglês
| MEDLINE
| ID: mdl-18643607
RESUMO
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.
2.
JEMS
; 29(5): 18; author reply 18, 2004 May.
Artigo
em Inglês
| MEDLINE
| ID: mdl-15160727