Large negative differential resistance and rectifying behaviors in Isolated Thiophene Nanowire Devices

ZU Fengxia; LIU Zuli; YAO Kailun; YAO Wei

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Large negative differential resistance and rectifying behaviors in Isolated Thiophene Nanowire Devices

ZU Fengxia 1 #,LIU Zuli 2,YAO Kailun 1 *,YAO Wei 1

1.School of Physics and Wuhan National High Magnetic Field Center, Huazhong University of Science and Technology, Wuhan 430074

2. School of Science, Wuhan Institute of Technology, Wuhan 430073

*Correspondence author

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Funding: National Natural Science Foundation of China （No.No. 11074081, No. 11004066, No. 11274130, and No. 11274127）, Specialized Research Foundation for the Doctoral Program of Higher Education of China under Grant （No.No. 20090142110063, No. 20100142120080)）

Opened online:19 December 2012

Accepted by: none

Citation: ZU Fengxia,LIU Zuli,YAO Kailun.Large negative differential resistance and rectifying behaviors in Isolated Thiophene Nanowire Devices[OL]. [19 December 2012] http://en.paper.edu.cn/en_releasepaper/content/4503343

In this paper, we design isolated molecular nanowires composed of thiophene oligomers sandwiched between two one-dimensional gold electrodes. Electronic transport through the molecular junctions with two interface geometries is studied by performing the first principles calculations based on density functional theory and nonequilibrium Green's function. The current-voltage (I-V) curves of the molecular wires display the unexpected negative differential resistance and rectifying behaviors along with the oscillation effects, different from the steplike features of the I-V curve in other theoretical and experimental studies about the analogous thiophene devices. The significant difference is attributed to the design of the one-dimensional gold electrodes with large enough vacuum layer in transverse direction in order to suppress the interaction between transport systems and its mirror images. Such transport behaviors indicates that the thiophene molecular device would be an important candidate in future molecular electronics.

Keywords:Nonequilibrium Green's function; Negative differential resistance; Rectifying behaviors

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