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	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
	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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