arXivDaily arXiv每日学术速递 周一至周五更新
arXiv 1012.3856cond-mat.mes-hall
收藏

非对称分子结中相互作用诱导的负微分电阻

Interaction-induced negative differential resistance in asymmetric molecular junctions

Martin Leijnse, Wei Sun, Mogens Brøndsted Nielsen, Per Hedegård, Karsten Flensberg

摘要:

结合量子化学计算与主方程的见解,我们讨论了分子结中的负微分电阻(NDR)的机制,在弱隧道耦合的制度。NDR起源于轨道空间不对称性和强电子-电子相互作用的相互作用,这导致分子在高于电压阈值的非导电状态下被捕获。我们展示了如何在单个轨道中选择性地引入所需的不对称性,例如,通过用合适的侧基官能化,该侧基与分子的一端线性共轭并与另一端交叉共轭,从而形成OPE-type分子。

英文摘要:

Combining insights from quantum chemistry calculations with master equations, we discuss a mechanism for negative differential resistance (NDR) in molecular junctions, operated in the regime of weak tunnel coupling. The NDR originates from an interplay of orbital spatial asymmetry and strong electron-electron interaction, which causes the molecule to become trapped in a non-conducting state above a voltage threshold. We show how the desired asymmetry can be selectively introduced in individual orbitals in e.g., OPE-type molecules by functionalization with a suitable side group, which is in linear conjugation to one end of the molecule and cross-conjugated to the other end.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

↑