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

页码：2597 / 2601

页数：5

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