First-principles Investigation of Bi Segregation at the Solder Interface of Cu/Cu3Sn(010)

IMR OpenIR

	First-principles Investigation of Bi Segregation at the Solder Interface of Cu/Cu3Sn(010)
	Pang, X. Y.1; Liu, Z. Q.1; Wang, S. Q.1; Shang, J. K.1,2
通讯作者	Liu, Z. Q.(zqliu@imr.ac.cn)
	2010-12-01
发表期刊	JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY
ISSN	1005-0302
卷号	26 期号:12 页码:1057-1062
摘要	Density functional theory was employed to investigate the bismuth segregation at Cu/Cu3Sn(010) interface. Five initial constructions were introduced by adopting the adhesion energy criterion. Among them, the so-called "between-Cu" construction in which the interface Cu atoms of Cu slab locate along Cu-Cu bond direction in Cu3Sn slab was found to be the most energy-favored at an adhesion energy of 1.96 J/m(2). Based on this construction, five possible segregation sites were examined, and the most likely segregation site was determined with adhesion energy as low as 1.06 J/m(2), which was almost half of the initial one. Comparing with other sites' adhesion energies, it was concluded that size effect took a large part in embrittlement. The analyses of atomic structure and electronic density revealed that the slabs shifted away from interfaces due to bismuth segregation, and the atoms around Bi atom were pressed away. This calculated work agreed qualitatively with reported experimental results.
关键词	First-principles calculation Segregation Bismuth Interface SnBi solder
资助者	National Basic Research Program of China ; Chinese Academy of Sciences ; Liaoning Natural Science Foundation of China
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[20082015]
WOS研究方向	Materials Science ; Metallurgy & Metallurgical Engineering
WOS类目	Materials Science, Multidisciplinary ; Metallurgy & Metallurgical Engineering
WOS记录号	WOS:000286153900001
出版者	JOURNAL MATER SCI TECHNOL
引用统计	被引频次：13[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/321006/102661
专题	中国科学院金属研究所
通讯作者	Liu, Z. Q.
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.,Liu, Z. Q.,Wang, S. Q.,et al. First-principles Investigation of Bi Segregation at the Solder Interface of Cu/Cu3Sn(010)[J]. JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY,2010,26(12):1057-1062.
APA	Pang, X. Y.,Liu, Z. Q.,Wang, S. Q.,&Shang, J. K..(2010).First-principles Investigation of Bi Segregation at the Solder Interface of Cu/Cu3Sn(010).JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY,26(12),1057-1062.
MLA	Pang, X. Y.,et al."First-principles Investigation of Bi Segregation at the Solder Interface of Cu/Cu3Sn(010)".JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY 26.12(2010):1057-1062.