,Electron Transport through a Silicon Atomic Chain

• 作 者: LIU Fu-Ti CHENG Yan CHENG Xiao-Hong YANG Fu-Bin CHEN Xiang-Rong
• 机 构: College of Physics and Electronic Engineering, Yibin university, Yibin 644000“,”College of Physical
• 出 处: 中国物理快报（英文版）
• 发表日期: 2013年6期

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 Greens 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 (A),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.