Electronic transport properties of tetracyclopentadienyl modified with C and Si atoms

被引：2
|
作者：
Yang, Li-Hua [1 ]
Yang, Chuan-Lu [1 ]
Wang, Mei-Shan [1 ]
Ma, Xiao-Guang [1 ]
机构：
[1] Ludong Univ, Sch Phys & Optoelect Engn, Yantai 264025, Peoples R China
来源：
PHYSICS LETTERS A | 2015年 / 379卷 / 30-31期
基金：
中国国家自然科学基金;
关键词：
Negative differential resistance; Molecular switch; Current-voltage curve; Transmission spectrum; SINGLE-MOLECULE JUNCTIONS; CONDUCTANCE; DIODES;
D O I：
10.1016/j.physleta.2015.04.029
中图分类号：
O4 [物理学];
学科分类号：
0702 ;
摘要：
The electronic transport characteristics for three tetracyclopentadienyl systems with C and Si atoms have been investigated on the basis of density-functional theory and non-equilibrium Green's function. Ohmic conductance, current-voltage curves, and differential conductance are obtained and analyzed. Switch and negative differential resistance behavior is observed in these systems. The novel characteristics of these systems are attributed to the highest occupied molecular orbital and lowest unoccupied molecular orbital and to the change in transmission spectra within the bias range. (C) 2015 Elsevier B.V. All rights reserved.
引用
收藏
页码：1726 / 1731
页数：6
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