End-group effects on negative differential resistance and rectifying performance of a polyyne-based molecular wire

被引：27

作者：

Qiu, M. ^{[1
]}

Zhang, Z. H. ^{[1
]}

Deng, X. Q. ^{[1
]}

Pan, J. B. ^{[1
]}

机构：

[1] Changsha Univ Sci & Technol, Sch Phys & Elect Sci, Changsha 410114, Hunan, Peoples R China

来源：

APPLIED PHYSICS LETTERS | 2010年 / 97卷 / 24期

基金：

中国国家自然科学基金;

关键词：

D O I：

10.1063/1.3526723

中图分类号：

O59 [应用物理学];

学科分类号：

摘要：

Based on first-principles approach, the end-group effects on negative differential resistance (NDR) and rectifying performance of polyyne-based molecular wires are investigated. The NDR behaviors are observed when the polyyne is attached to asymmetric (-NO2 and -NH2) or symmetric (double similar to S) end groups, and rectifying performance emerges with the presence of asymmetric groups. The analysis on microscopic nature reveals the intrinsic origin of these phenomena. Our results show the possibility of a multifunctional molecular device design simultaneously with NDR and rectifying performances by using a technology of capping certain end groups to polyyne. (C) 2010 American Institute of Physics. [doi:10.1063/1.3526723]

引用

页数：3

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