Effects of Contact Geometry on the Transport Properties of a Silicon Atom  被引量:2

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作  者:LIU Fu-Ti CHENG Yan YANG Fu-Bin CHEN Xiang-Rong 柳福提;程艳;羊富彬;陈向荣(Key Laboratory of High Energy Density Physics and Technology of Ministry of Education,College of Physical Science and Technology,Sichuan University,Chengdu 610064;College of Physics and Electronic Engineering,Yibin University,Yibin 644007)

机构地区:[1]Key Laboratory of High Energy Density Physics and Technology of Ministry of Education,College of Physical Science and Technology,Sichuan University,Chengdu 610064 [2]College of Physics and Electronic Engineering,Yibin University,Yibin 644007

出  处:《Chinese Physics Letters》2013年第10期156-159,共4页中国物理快报(英文版)

基  金:Supported by the National Natural Science Foundation of China under Grant Nos 11174214 and 11204192;the Research Project of Education Department in Sichuan Province under Grant No 13ZB0207.

摘  要:Contact geometry and electronic transport properties of a silicon atom sandwiched between Au electrodes in three different anchoring configurations are investigated by using the density functional theory combined with the non?equilibrium Green function method.We simulate the nanoscale junction breaking process and calculate the corresponding cohesion energy,obtain the equilibrium conductance and the projected density of states of junctions in an optimal postion.We also calculate the conductance and the current of junctions at the equilibrium position under small bias voltage.It is found that all junctions have large conductance and show a linear I–V relationship,but the current and conductance of a hollow-hollow configuration is always the biggest under the voltage range of-1.2 V~1.2V.The calculated results proved that the coupling morphology of a silicon atom connected with electrodes has an important effect on the electronic transport properties of the nanoscale junction.

关 键 词:CONDUCTANCE EQUILIBRIUM CONFIGURATION 

分 类 号:TN3[电子电信—物理电子学]

 

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