First-principles study on the transport properties of phenyl dithiol oligomers

被引：9
|
作者：
Chen, Xiao Chun [2 ,3 ]
Xu, Ying [3 ]
Zeng, Zhao Yang [1 ,3 ]
机构：
[1] Abdus Salam Int Ctr Theoret Phys, I-34100 Trieste, Italy
[2] Jiangxi BlueSky Univ, Inst Complex Biodynam, Nanchang 330098, Peoples R China
[3] Jiangxi Normal Univ, Dept Phys, Nanchang 330022, Peoples R China
来源：
PHYSICA B-CONDENSED MATTER | 2008年 / 403卷 / 17期
基金：
中国国家自然科学基金;
关键词：
molecular switch; equilibrium conductance; transmission spectra;
D O I：
10.1016/j.physb.2008.01.050
中图分类号：
O469 [凝聚态物理学];
学科分类号：
070205 ;
摘要：
We present first-principles studies on the transport properties of oligomers, polyphenyl dithiol, PP(n)DTs, sandwiched between two Al(1 0 0) electrodes. The variation of the current-voltage curve for PP(2)DT in different tilt. angles is investigated systematically. The results indicate that PP(2)DT can be functioned as a molecular switch controlled by molecular conformation. We also study the variation of the equilibrium conductance and current-voltage properties of PP(n)DT as a function of n. (C) 2008 Elsevier B.V. All rights reserved.
引用
收藏
页码：2597 / 2601
页数：5
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