First-principles study of the electronic transport properties in (GaAs)n (n=2-4) nanocluster-based molecular junctions

被引：18
|
作者：
Zhang, Daoli [1 ,2 ]
Xu, Yuanlan [1 ]
Zhang, Jianbing [1 ,2 ]
Miao, Xiangshui [1 ,2 ]
机构：
[1] Huazhong Univ Sci & Technol, Sch Opt & Elect Informat, Wuhan 430074, Hubei Province, Peoples R China
[2] Wuhan Natl Lab Optoelect, Wuhan 430074, Hubei Province, Peoples R China
来源：
PHYSICS LETTERS A | 2012年 / 376卷 / 45期
关键词：
GaAs nanocluster; Molecular device; Negative differential resistance; QUANTUM DOTS; CLUSTERS;
D O I：
10.1016/j.physleta.2012.09.023
中图分类号：
O4 [物理学];
学科分类号：
0702 ;
摘要：
In this program the geometric structures and electronic transport properties of a series of (GaAs)(n) (n = 2,3,4) clusters are comparatively studied using non-equilibrium Green's function (NEGF) combined with density functional theory (DFT). It is find that all the GaAs nanocluster-based molecular junctions show metallic behavior at low biases ([-2 V, 2 V]) while negative differential resistance (NDR) appears at a certain high bias range. Our calculation shows that the current of (GaAs)(3) nanocluster-based molecular junction is almost the smallest at any bias. The mechanisms of the current-voltage characteristics of all the three molecular junctions are proposed. (C) 2012 Elsevier B.V. All rights reserved.
引用
收藏
页码：3272 / 3276
页数：5
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