First-principles study of repeated current switching in a bimolecular device

被引：9

作者：

Fan, Zhi-Qiang ^{[1
]}

Zhang, Zhen-Hua ^{[1
]}

Ming, Qiu ^{[1
]}

Tang, Gui-Ping ^{[1
]}

Chen, Ke-Qiu ^{[2
,3
]}

机构：

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

[2] Hunan Univ, Minist Educ, Key Lab Micro Nano Optoelect Devices, Changsha 410082, Hunan, Peoples R China

[3] Hunan Univ, Dept Appl Phys, Changsha 410082, Hunan, Peoples R China

来源：

COMPUTATIONAL MATERIALS SCIENCE | 2012年 / 53卷 / 01期

基金：

中国国家自然科学基金;

关键词：

Nonequilibrium Green's functions; Density-functional theory; Bimolecular device; Switching; NEGATIVE DIFFERENTIAL RESISTANCE; SELF-ASSEMBLED MONOLAYERS; AB-INITIO; MOLECULAR SWITCH; CONDUCTANCE; TRANSPORT; JUNCTIONS; SURFACES; BINDING;

D O I：

10.1016/j.commatsci.2011.08.004

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Using nonequilibrium Green's functions in combination with the first-principles density-functional theory, we investigate electronic transport properties of a bimolecular device consisting of two parallel placed phenalenyl molecules. When the two molecules get close enough, the currents of this bimolecular device could switch repeatedly by the mechanical strain. The deeper analysis indicates that the overlapping region size sensibly alters the coupling and charge transfer between the two parallel p-conjugated molecules is a very important factor for this behavior. (C) 2011 Elsevier B. V. All rights reserved.

引用

页码：294 / 297

页数：4

共 33 条

[11] Controlled synthesis and characterization of Ag2S films with varied microstructures and its role as asymmetric barrier layer in trilayer junctions with dissimilar electrodes [J].

Lekshmi, I. C. ;

Berera, G. ;

Afsar, Y. ;

Miao, G. X. ;

Nagahama, T. ;

Santos, T. ;

Moodera, J. S. .

JOURNAL OF APPLIED PHYSICS, 2008, 103 (09)

[12] Effect of length and size of heterojunction on the transport properties of carbon-nanotube devices [J].

Li, Xiao-Fei ;

Chen, Ke-Qiu ;

Wang, Lingling ;

Long, Meng-Qiu ;

Zou, B. S. ;

Shuai, Z. .

APPLIED PHYSICS LETTERS, 2007, 91 (13)

[13] Nanomechanically induced molecular conductance switch [J].

Li, Xiao-Fei ;

Wang, Lingling ;

Chen, Ke-Qiu ;

Luo, Yi .

APPLIED PHYSICS LETTERS, 2009, 95 (23)

[14] First-principles study of substituents effect on molecular junctions: Towards molecular rectification [J].

Li, Yanwei ;

Yin, Geping ;

Yao, Jinhuan ;

Zhao, Jianwei .

COMPUTATIONAL MATERIALS SCIENCE, 2008, 42 (04) :638-642

[15] Role of symmetry in the transport properties of graphene nanoribbons under bias [J].

Li, Zuanyi ;

Qian, Haiyun ;

Wu, Jian ;

Gu, Bing-Lin ;

Duan, Wenhui .

PHYSICAL REVIEW LETTERS, 2008, 100 (20)

[16] Current-induced hydrogen tautomerization and conductance switching of naphthalocyanine molecules [J].

Liljeroth, Peter ;

Repp, Jascha ;

Meyer, Gerhard .

SCIENCE, 2007, 317 (5842) :1203-1206

[17] Formation and electronic transport properties of bimolecular junctions based on aromatic coupling [J].

Lin, Li-Li ;

Song, Xiu-Neng ;

Luo, Yi ;

Wang, Chuan-Kui .

JOURNAL OF PHYSICS-CONDENSED MATTER, 2010, 22 (32)

[18] Negative differential resistance induced by intermolecular interaction in a bimolecular device [J].

Long, Meng-Qiu ;

Chen, Ke-Qiu ;

Wang, Lingling ;

Zou, B. S. ;

Shuai, Z. .

APPLIED PHYSICS LETTERS, 2007, 91 (23)

[19] Azobenzenes as light-controlled molecular electronic switches in nanoscale metal-molecule-metal junctions [J].

Mativetsky, Jeffrey M. ;

Pace, Giuseppina ;

Elbing, Mark ;

Rampi, Maria A. ;

Mayor, Marcel ;

Samori, Paolo .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2008, 130 (29) :9192-+

[20] Conduction switching behaviors of a small molecular device [J].

Qiu, M. ;

Zhang, Z. H. ;

Deng, X. Q. ;

Chen, K. Q. .

JOURNAL OF APPLIED PHYSICS, 2010, 107 (06)

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