First-principles calculations of the electron transport through Si4 cluster

被引：4
作者：
Liu Fu-Ti [1 ,2 ]
Cheng Yan [2 ]
Yang Fu-Bin [2 ]
Cheng Xiao-Hong [1 ]
Chen Xiang-Rong [2 ]
机构：
[1] Yibin Uni, Coll Phys & Elect Engn, Yibin 644000, Peoples R China
[2] Sichuan Univ, Coll Phys Sci & Technol, Chengdu 610065, Peoples R China
来源：
ACTA PHYSICA SINICA | 2013年 / 62卷 / 14期
基金：
中国国家自然科学基金;
关键词：
density functional theory; non-equilibrium Green's function; Si-4; cluster; electron transport; SILICON; ENERGY;
D O I：
10.7498/aps.62.140504
中图分类号：
O4 [物理学];
学科分类号：
0702 ;
摘要：
Electron transport properties of Si-4 cluster-Au (100) electrode nanojunction is investigated with a combination of density functional theory and non-equilibrium Green's function method. We calculate the geometric structures, electronic structures, conductances, transmission spectra and charge transfers of Au-Si-4-Au nanoscale junctions under different distances. We also discuss the variations of conductance and current with external voltage when the distance of junction is 12.004 angstrom.
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页数：5
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