Surface alloy formation of noble adatoms adsorbed on si(111)-root 3 x root 3-pb surface: a first-principles study | |
Li, Chong1,2,3; Wang, Fei1,2; Sun, Q.1,2; Jia, Yu1,2 | |
刊名 | Journal of physics-condensed matter
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2011-07-06 | |
卷号 | 23期号:26页码:12 |
ISSN号 | 0953-8984 |
DOI | 10.1088/0953-8984/23/26/265001 |
通讯作者 | Jia, yu(jiayu@zzu.edu.cn) |
英文摘要 | The geometric structures, stability and electronic properties of initial stages of surface alloy formation for noble atoms adsorbed on si(111)-root 3 x root 3-pb surfaces have been comparatively and extensively studied by using first-principles calculations within density functional theory. our results revealed that an au trimer rather than a tetramer adsorption induces a surface alloy by combining with pb atoms in covalent bonds, exhibiting semiconducting characteristics due to the localization of surface states. the stability of the two-dimensional (2d) surface alloy obeys the hume-rothery rule. the electronic structures of the 2d surface alloy are sensitive to the number of au adatoms and can be modulated by the quantity of au adatoms. unlike the au atoms, our further calculations indicated that adsorption of ag or cu atoms on the surface cannot form a surface alloy with pb atoms in the surface layer due to a weaker interaction or smaller radius. |
WOS关键词 | SCANNING-TUNNELING-MICROSCOPY ; LEAD MONOLAYERS ; GROWTH ; PB ; RECONSTRUCTIONS ; ADSORPTION ; STABILITY ; POINTS ; PHASE ; GOLD |
WOS研究方向 | Physics |
WOS类目 | Physics, Condensed Matter |
语种 | 英语 |
出版者 | IOP PUBLISHING LTD |
WOS记录号 | WOS:000291658700002 |
内容类型 | 期刊论文 |
URI标识 | http://www.corc.org.cn/handle/1471x/2428436 |
专题 | 半导体研究所 |
通讯作者 | Jia, Yu |
作者单位 | 1.Zhengzhou Univ, Ctr Clean Energy & Quantum Struct, Zhengzhou 450052, Peoples R China 2.Zhengzhou Univ, Sch Phys & Engn, Zhengzhou 450052, Peoples R China 3.Chinese Acad Sci, State Key Lab Superlattices & Microstruct, Inst Semicond, Beijing 100083, Peoples R China |
推荐引用方式 GB/T 7714 | Li, Chong,Wang, Fei,Sun, Q.,et al. Surface alloy formation of noble adatoms adsorbed on si(111)-root 3 x root 3-pb surface: a first-principles study[J]. Journal of physics-condensed matter,2011,23(26):12. |
APA | Li, Chong,Wang, Fei,Sun, Q.,&Jia, Yu.(2011).Surface alloy formation of noble adatoms adsorbed on si(111)-root 3 x root 3-pb surface: a first-principles study.Journal of physics-condensed matter,23(26),12. |
MLA | Li, Chong,et al."Surface alloy formation of noble adatoms adsorbed on si(111)-root 3 x root 3-pb surface: a first-principles study".Journal of physics-condensed matter 23.26(2011):12. |
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