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Quantum transport through Ga2As2 cluster

Published online by Cambridge University Press:  10 June 2014

Fu-Ti Liu ,
Yan Cheng ,
Fu-Bin Yang  and
Xiang-Rong Chen
Fu-Ti Liu
Affiliation:
College of Physics and Electronic Engineering, Yibin University, Yibin 644000, P.R. China College of Physical Science and Technology, Sichuan University, Chengdu 610064, P.R. China Computational Physics Key Laboratory of Sichuan Province of Yibin university, Yibin 644000, P.R. China
Yan Cheng*
Affiliation:
College of Physical Science and Technology, Sichuan University, Chengdu 610064, P.R. China
Fu-Bin Yang
Affiliation:
College of Physical Science and Technology, Sichuan University, Chengdu 610064, P.R. China
Xiang-Rong Chen
Affiliation:
College of Physical Science and Technology, Sichuan University, Chengdu 610064, P.R. China
*
ae-mail: futiliu@163.com
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Abstract

The electronic transport properties of Ga2As2 cluster, which is sandwiched between two semiinfinite Au (1 0 0)-3 × 3 pyramical-shaped electrodes with the Ga-Ga axis of the cluster parallel to the transport direction and the As-As axis of the cluster parallel to the transport direction, respectively, is investigated with a combination of density functional theory and the non-equilibrium Green’s function method. We have simulated the nanoscale junctions breaking process and found that the conductance of cluster decreases then increases when the contact is pulled apart in two configurations. We analyzed the difference of conductance from transmission spectra and projected density of states, and calculated the I-V characteristics of devices in this two configurations when dz = 2.0 Å. The I-V curves display a linear characteristics in the voltage range of 0 ∼ 2.2 V. The negative differential resistance appears within a small range of voltage in the junctions with As-As axis of the cluster parallel to the transport direction when bias is larger than 2.2 V.

Type
Research Article
Information
The European Physical Journal - Applied Physics , Volume 66 , Issue 3 , June 2014 , 30401
Copyright
© EDP Sciences, 2014

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