Mechanism of a molecular electronic photoswitch

被引：59
|
作者：
Zhuang, M [1 ]
Ernzerhof, M [1 ]
机构：
[1] Univ Montreal, Dept Chim, Montreal, PQ H3C 3J7, Canada
来源：
PHYSICAL REVIEW B | 2005年 / 72卷 / 07期
关键词：
D O I：
10.1103/PhysRevB.72.073104
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
We present a simple non-self-consistent method for the calculation of the molecular conductance under finite bias voltage. Our approach is applied to a molecular photoswitch that has recently been investigated in break junction experiments [D. Dulic , Phys. Rev. Lett. 91, 207402 (2003)]. We obtain I-V characteristics that are qualitatively in agreement with experimental measurements. Employing our electronic structure calculations, we provide a detailed explanation for the switching behavior observed in experiment.
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页数：4
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