DTU Nanotech, Department of Micro and Nanotechnology, Technical University of Denmark, Ørsteds Plads, Building 345E, Kongens Lyngby, Denmark.
Nano Lett. 2010 May 12;10(5):1657-63. doi: 10.1021/nl904233u.
We examine a molecular bridge connecting two metallic electrodes. We find that an electronic current passing across the bridge can cause a vibrational instability of the molecule, which ultimately can lead to a breakdown of the bridge. This instability is generated by a hitherto never considered mechanism, which surprisingly involves the quantum mechanical phase of the electronic waves, the "Berry phase". This mechanism works for highly conducting bridges, and contrary to breakdown by traditional Joule heating, this instability is deterministic and occurs at certain critical voltages. We demonstrate the new mechanism using state-of-the-art ab initio calculations on realistic molecular bridges.
我们研究了连接两个金属电极的分子桥。我们发现,穿过分子桥的电子流会导致分子的振动不稳定性,最终可能导致分子桥的破坏。这种不稳定性是由一个以前从未被考虑过的机制引起的,这个机制令人惊讶地涉及到电子波的量子力学相位,即“贝里相位”。这个机制适用于高导电性的桥梁,与传统的焦耳加热引起的破坏相反,这种不稳定性是确定性的,并且发生在特定的临界电压下。我们使用最先进的从头算方法对实际的分子桥进行了计算,证明了这种新机制的存在。