Towards a theory of electrical transport through atomic and molecular junctions
Towards a theory of electrical transport through atomic and molecular junctions
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通过原子和分子连接的电传输理论
DOI：
10.1080/1411596310001622473
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发表时间：
2004
影响因子：
1.6
通讯作者：
G. Schön
中科院分区：
文献类型：
--
作者：
Juan Carlos Cuevas;J. Heurich;F. Pauly;Wolfgang Wenzel;G. Schön
目前电子器件小型化的趋势表明，最终单个原子和分子可以在各种应用中用作电子活性元素。在这种情况下，有一个明显的要求的理论，可以阐明在单分子尺度上的传输机制，反过来又有助于在未来的分子器件的工程。本文将量子化学方法与绿色函数技术相结合，提出了一种新的量子化学理论。我们在这项工作中的主要目标是展示单个原子和分子的电子结构如何控制电路的宏观电学性质，在电路中它们被用作构建模块。特别是，我们回顾了我们的工作，在过去几年中已收到了特别的实验关注的三个基本问题：（i）的电导的单原子接触;（ii）的电导的氢分子;（iii）通过单个有机分子的电流。
Present trends in the miniaturization of electronic devices suggest that ultimately single atoms and molecules may be used as electronically active elements in a variety of applications. In this context, there is an obvious request for a theory that can elucidate the transport mechanisms at the single-molecule scale, and in turn help in the future engineering of molecular devices. We present here a candidate to such a theory, which based on the combination of quantum chemistry methods and Green functions techniques. Our main goal in this work is to show how the electronic structure of single atoms and molecules controls the macroscopic electrical properties of the circuits in which they are used as building blocks. In particular, we review our work on three basic problems that have received a special experimental attention in the last years: (i) the conductance of a single-atom contact; (ii) the conductance of a hydrogen molecule; and (iii) the current through single organic molecules.
通过以原子精度形成的点接触实现电导
DOI：
--
发表时间：
2018
期刊：
影响因子：
--
作者：
Makiko YOSHIDA;Keiko TAWA;Yukio Hasegawa
通讯作者：
Yukio Hasegawa
影响因子：
8.6
作者：
Di Ventra, M;Pantelides, ST;Lang, ND
通讯作者：
Lang, ND