Galperin Michael, Nitzan Abraham, Ratner Mark A
Theoretical Division and Center for Integrated Nanotechnologies, Los Alamos National Laboratory, Los Alamos, NM 87545, USA.
J Phys Condens Matter. 2008 Sep 17;20(37):374107. doi: 10.1088/0953-8984/20/37/374107. Epub 2008 Aug 26.
A polaron model proposed as a possible mechanism for non-linear conductance (Galperin et al 2005 Nano Lett. 5 125-30) is revisited with the focus on the differences between the weak and strong molecule-lead coupling cases. Within the one-molecule-level model we present an approximate expression for the electronic Green function corresponding to the inelastic transport case, which in the appropriate limits reduces to expressions presented previously for the isolated molecule and for a molecular junction coupled to a slow vibration (static limit). The relevance of considerations based on the isolated molecule limit to understanding properties of molecular junctions is discussed.
一种被提出作为非线性电导可能机制的极化子模型(Galperin等人,2005年,《纳米快报》5卷,第125 - 30页)被重新审视,重点关注弱分子 - 电极耦合情况和强分子 - 电极耦合情况之间的差异。在单分子水平模型中,我们给出了对应非弹性输运情况的电子格林函数的近似表达式,在适当的极限下,该表达式简化为先前针对孤立分子以及耦合到慢振动的分子结(静态极限)所给出的表达式。讨论了基于孤立分子极限的考虑对于理解分子结性质的相关性。