Large negative differential resistance in a molecular device with asymmetric contact geometries: A first-principles study

被引：26
|
作者：
Xia, Cai-Juan [1 ]
Liu, De-Sheng [2 ,3 ]
Liu, Han-Chen [1 ]
Zhai, Xue-Jun [1 ]
机构：
[1] Xian Polytech Univ, Sch Sci, Xian 710048, Peoples R China
[2] Shandong Univ, Sch Phys, Jinan 250100, Peoples R China
[3] Jining Univ, Dept Phys, Qufu 273155, Peoples R China
来源：
PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES | 2011年 / 43卷 / 08期
关键词：
CONDUCTANCE; SWITCH;
D O I：
10.1016/j.physe.2011.04.020
中图分类号：
TB3 [工程材料学];
学科分类号：
0805 ; 080502 ;
摘要：
We report a first-principles study of electronic transport properties and negative differential resistance (NDR) in a single molecular device consisting of a pyrene-based molecule sandwiched between two gold electrodes with different contact geometries. The results show that the electronic transport properties are strongly dependent on the contact geometry. The transmission coefficients and spatial distributions of molecular orbitals under various external biases voltage are analyzed, and it suggests that the asymmetry of the coupling between the molecule and the electrodes with external bias leads to NDR. (C) 2011 Elsevier B.V. All rights reserved.
引用
收藏
页码：1518 / 1521
页数：4
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