Theoretical study of the electron transport in the molecular contact

被引：3
|
作者：
Niu Xiu-Ming [1 ]
Qi Yuan-Hua [2 ]
机构：
[1] Shandong Med Coll, Jinan 250002, Peoples R China
[2] Shandong Univ, Sch Phys & Microelect, Jinan 250010, Peoples R China
来源：
ACTA PHYSICA SINICA | 2008年 / 57卷 / 11期
关键词：
molecular contact; electron transportation; non-equilibrium Green functions; transmission spectrum;
D O I：
10.7498/aps.57.6926
中图分类号：
O4 [物理学];
学科分类号：
0702 ;
摘要：
Based on the density functional theory (DFF) and non-equilibrium Green function (NEGF) method, we present calculations of the electron transport properties of a hydrogen molecule contacting two Pt micro-electrodes. The conductance we obtained agrees well with that of the experiment. The conceptual picture of Feynman path is used to explain our result. The local states of the contact are related to the peaks of the transmission spectrum.
引用
收藏
页码：6926 / 6931
页数：6
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