Weakening of the Cu/Cu3Sn(100) Interface by Bi Impurities

doi:10.1007/s11664-010-1196-2

IMR OpenIR

	Weakening of the Cu/Cu3Sn(100) Interface by Bi Impurities
	Pang, X. Y.1; Shang, P. J.1; Wang, S. Q.1; Liu, Z. Q.1; Shang, J. K.1,2
通讯作者	Pang, X. Y.()
	2010-08-01
发表期刊	JOURNAL OF ELECTRONIC MATERIALS
ISSN	0361-5235
卷号	39 期号:8 页码:1277-1282
摘要	We have performed density functional theory calculations to examine the role of Bi impurities in modifying the structure and properties of the Cu/Cu3Sn(100) interface. Analysis of the heat of supercell formation reveals that Bi atoms preferentially replace Cu atom in the Cu slab. Substitution of Cu by Bi reduces the adhesion energy of the interface from 1.5 J/m(2) to 1.1 J/m(2), primarily due to the atomic size effect. The size effect leads to expansion of the interface, because surrounding Cu and Sn atoms are pushed away from the misfit Bi atoms. Analysis of electronic density indicates that the local charge density is dispersed around Bi atoms. The presence of a Bi atom makes surrounding atoms less active, which is attributed to the reduction of hybridizations.
关键词	DFT bismuth impurity interface bonding
资助者	National Basic Research Program of China ; Chinese Academy of Sciences ; Liaoning Natural Science Foundation of China
DOI	10.1007/s11664-010-1196-2
收录类别	SCI
语种	英语
资助项目	National Basic Research Program of China[2006CB605103] ; National Basic Research Program of China[2010CB631006] ; Chinese Academy of Sciences ; Liaoning Natural Science Foundation of China[20081015]
WOS研究方向	Engineering ; Materials Science ; Physics
WOS类目	Engineering, Electrical & Electronic ; Materials Science, Multidisciplinary ; Physics, Applied
WOS记录号	WOS:000279504900021
出版者	SPRINGER
引用统计	被引频次：9[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/100436
专题	中国科学院金属研究所
通讯作者	Pang, X. Y.
作者单位	1.Chinese Acad Sci, Shenyang Natl Lab Mat Sci, Inst Met Res, Shenyang 110016, Peoples R China 2.Univ Illinois, Dept Mat Sci & Engn, Urbana, IL 61801 USA
推荐引用方式 GB/T 7714	Pang, X. Y.,Shang, P. J.,Wang, S. Q.,et al. Weakening of the Cu/Cu3Sn(100) Interface by Bi Impurities[J]. JOURNAL OF ELECTRONIC MATERIALS,2010,39(8):1277-1282.
APA	Pang, X. Y.,Shang, P. J.,Wang, S. Q.,Liu, Z. Q.,&Shang, J. K..(2010).Weakening of the Cu/Cu3Sn(100) Interface by Bi Impurities.JOURNAL OF ELECTRONIC MATERIALS,39(8),1277-1282.
MLA	Pang, X. Y.,et al."Weakening of the Cu/Cu3Sn(100) Interface by Bi Impurities".JOURNAL OF ELECTRONIC MATERIALS 39.8(2010):1277-1282.