Electronic structure of Au on Si(111) surface

被引：0
|
作者：
Wang, Jianguang [1 ,2 ]
Ma, Li [3 ,4 ]
Wang, Guanghou [1 ,2 ]
机构：
[1] Nanjing Univ, Natl Lab Solid State Microstruct, Nanjing 210093, Peoples R China
[2] Nanjing Univ, Dept Phys, Nanjing 210093, Peoples R China
[3] Dalian Univ Technol, Sch Phys & Optoelect Technol, State Key Lab Mat Modificat Laser Electron & Ion, Dalian 116024, Peoples R China
[4] Dalian Univ Technol, Coll Adv Sci & Technol, Dalian 116024, Peoples R China
来源：
INTERNATIONAL JOURNAL OF MODERN PHYSICS B | 2008年 / 22卷 / 21期
基金：
中国国家自然科学基金;
关键词：
silicon; gold; surfaces and interfaces; chemisorption; supercell;
D O I：
10.1142/S0217979208048504
中图分类号：
O59 [应用物理学];
学科分类号：
摘要：
Using the self-consistent tight-binding linear muffin-tin orbital method, we have investigated the electronic structure and adsorption properties of one monolayer Au atoms on a Si(111) surface. The total energies, the layer projected density of states and the charge distributions are calculated in detail. Our calculations show that the most stable position is on the interstitial center site above the Si(111) surface for the adsorbed Au atoms. It is possible for the Au atoms to sit below the Si surface, resulting in a Au-Si mixed layer at the Au/Si interface, which is in good agreement with the experimental results.
引用
收藏
页码：3619 / 3626
页数：8
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