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《Journal of Jiangxi Normal University(Natural Sciences Edition)》 2007-01
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Study on the Transport Properties of a Adulterant Carbon Wire——The First Principles Calculation

CHEN Xiao-chun,XU Ying,ZHOU Yan-hong,WAN Hai-qing (College of Physics and Communication & Electronics,Jiangxi Normal University,Nanchang 330027,China)  
We investigate on the transport properties of one dimensional adulterant carbon wire coupled to two Al(100) electrodes based on a recently developed ab-initio nonequilibrium Green function formalism.The transport properties of the carbon wire with one of the carbon atom substituted by Si atom and the carbon wire with different length substituted by one of Si atom are calculated.We also study the variation of the transport properties of the carbon wire with substitution of other atom,such N,P,S.We find that the equilibrium conductance varies in an oscillatory manner for the adulterant carbon wire and the even-odd behavior also exists with the different substitution site.The variation of the transmission spenctra,the current-voltage character and the conductance under different gate-voltage for the adulterant carbon wire are also analyzed.
【Fund】: 国家自然科学基金(10404010);; 江西省教育厅基金(112【2006】)资助项目
【CateGory Index】: O561
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