Electrical transmission of molecular bridges

被引:39
作者
Remacle, F [1 ]
Levine, RD
机构
[1] Hebrew Univ Jerusalem, Fritz Haber Res Ctr Mol Dynam, IL-91904 Jerusalem, Israel
[2] Univ Liege, Dept Chim, B-4000 Cointe Ougree, Belgium
[3] Univ Calif Los Angeles, Dept Chem & Biochem, Los Angeles, CA 90095 USA
关键词
D O I
10.1016/j.cplett.2003.11.072
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
Transmission of electrons through orbitals of molecules is discussed using high-level ab initio methods that allow an orbital interpretation. The transmission is computed for a molecule tethered between gold atoms. Strong coupling to the gold is achieved using a sulfur atom at each end of the molecule. sigma-type orbitals can conduct as well as conjugated bridges provided that the orbitals have weights on the sulfur atoms. The current depends exponentially on the voltage applied to the molecule and this voltage can also shift the electronic density and further alter the transmission. The conductivity can also be modified by a gate voltage. (C) 2003 Elsevier B.V. All rights reserved.
引用
收藏
页码:537 / 543
页数:7
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