LOCALIZATION OF THE ENERGY STATES OF LEAD INDUCING THE EFFECT OF RECTIFICATION AND NEGATIVE DIFFERENTIAL RESISTANCE PREDICTED BY FIRST-PRINCIPLES STUDY

被引：12
|
作者：
Min, Y. [1 ]
Fang, J. H. [1 ]
Zhong, C. G. [1 ]
Dong, Z. C. [1 ]
Chen, C. P. [1 ]
Yao, K. L. [2 ]
机构：
[1] Nantong Univ, Sch Sci, Nantong 226007, Jiangsu, Peoples R China
[2] Huazhong Univ Sci & Technol, Sch Phys, Wuhan 430074, Peoples R China
来源：
INTERNATIONAL JOURNAL OF MODERN PHYSICS B | 2013年 / 27卷 / 17期
基金：
中国国家自然科学基金;
关键词：
Molecular electronics; density functional theory; nonequilibrium Green's function; electrons transport; DITHIOCARBOXYLATE ANCHORING GROUP; MOLECULAR WIRE JUNCTIONS; ELECTRONIC TRANSPORT; DEVICES; SYSTEMS; DIODES;
D O I：
10.1142/S0217979213500811
中图分类号：
O59 [应用物理学];
学科分类号：
摘要：
The first-principles calculations of the transport characteristics of 4-(5-(2-(5-(4-mercaptophenyl)thiophene-2-yl)ethyl)pyridin-2-yl)benzenethiol sandwiched between two gold leads are performed. The effect of rectification and negative differential resistance (NDR) are obtained, which promise the potential applications in the field of molecular electronics. The rectification effect is 4.49. The peak/valley ratio of the NDR effect is as large as 4.51 for the forward bias and 12.09 for the reverse bias. The strong coupling between gold lead and molecule through thiolate results in the localization of the energy states of gold lead, which may induce the effect of rectification and NDR.
引用
收藏
页数：14
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