Coherent electron transport through an azobenzene molecule: A light-driven molecular switch

被引：249

作者：

Zhang, C

Du, MH

Cheng, HP ^{[1
]}

Zhang, XG

Roitberg, AE

Krause, JL

机构：

[1] Univ Florida, Dept Phys, Gainesville, FL 32611 USA

[2] Univ Florida, Quantum Theory Project, Gainesville, FL 32611 USA

[3] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA

[4] Univ Florida, Dept Chem, Gainesville, FL 32611 USA

来源：

PHYSICAL REVIEW LETTERS | 2004年 / 92卷 / 15期

关键词：

D O I：

10.1103/PhysRevLett.92.158301

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

We apply a first-principles computational approach to study a light-sensitive molecular switch. The molecule that comprises the switch can convert between a trans and a cis configuration upon photoexcitation. We find that the conductance of the two isomers varies dramatically, which suggests that this system has potential application as a molecular device. A detailed analysis of the band structure of the metal leads and the local density of states of the system reveals the mechanism of the switch.

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页码：158301 / 1

页数：4

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