| CONDENSED MATTER: ELECTRONIC STRUCTURE, ELECTRICAL, MAGNETIC, AND OPTICAL PROPERTIES |
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Electron Transport through a Silicon Atomic Chain |
| LIU Fu-Ti1,2**, CHENG Yan2**, CHENG Xiao-Hong1, YANG Fu-Bin2, CHEN Xiang-Rong2 |
1College of Physics and Electronic Engineering, Yibin university, Yibin 644000
2College of Physical Science and Technology, Sichuan University, Chengdu 610064
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| Cite this article: |
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LIU Fu-Ti, CHENG Yan, CHENG Xiao-Hong et al 2013 Chin. Phys. Lett. 30 067302 |
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Abstract The electron transport properties of a silicon atomic chain sandwiched between Au (100) leads are investigated by using the density functional theory combined with the non-equilibrium Green's function method. The breaking process of Au-Si4-Au nanoscale junctions is simulated. The conductance and the corresponding cohesion energy as a function of distance dz are obtained. With the increase of distance, the conductance decreases. When dz=18.098 ?, there is a minimum value of cohesion energy. The nanoscale structure of junctions is most stable, and the equilibrium conductance is 1.71G0 (G0=2e2/h) at this time. The I–V curves of junctions at equilibrium position show linear characteristics.
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Received: 22 February 2013
Published: 31 May 2013
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