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
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.
. [J]. 中国物理快报, 2013, 30(6): 67302-067302.
LIU Fu-Ti, CHENG Yan, CHENG Xiao-Hong, YANG Fu-Bin, CHEN Xiang-Rong . Electron Transport through a Silicon Atomic Chain. Chin. Phys. Lett., 2013, 30(6): 67302-067302.
2013, Vol. 30 
