First-principles Investigation of Bi Segregation at the Solder Interface of Cu/Cu(3)Sn(010)

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	First-principles Investigation of Bi Segregation at the Solder Interface of Cu/Cu(3)Sn(010)
	X. Y. Pang; Z. Q. Liu; S. Q. Wang; J. K. Shang
	2010
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/Cu(3)Sn(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 Cu(3)Sn 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.
部门归属	[pang, x. y.; liu, z. q.; wang, s. q.; shang, j. k.] chinese acad sci, shenyang natl lab mat sci, inst met res, shenyang 110016, peoples r china. [shang, j. k.] univ illinois, dept mat sci & engn, urbana, il 61801 usa.;liu, zq (reprint author), chinese acad sci, shenyang natl lab mat sci, inst met res, shenyang 110016, peoples r china;zqliu@imr.ac.cn sqwang@imr.ac.cn
关键词	First-principles Calculation Segregation Bismuth Interface Snbi Solder Reactive Interface Cu3sn Cu Growth Principles Fracture Crystal Bismuth Joints Copper
URL	查看原文
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/31406
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	X. Y. Pang,Z. Q. Liu,S. Q. Wang,et al. First-principles Investigation of Bi Segregation at the Solder Interface of Cu/Cu(3)Sn(010)[J]. Journal of Materials Science & Technology,2010,26(12):1057-1062.
APA	X. Y. Pang,Z. Q. Liu,S. Q. Wang,&J. K. Shang.(2010).First-principles Investigation of Bi Segregation at the Solder Interface of Cu/Cu(3)Sn(010).Journal of Materials Science & Technology,26(12),1057-1062.
MLA	X. Y. Pang,et al."First-principles Investigation of Bi Segregation at the Solder Interface of Cu/Cu(3)Sn(010)".Journal of Materials Science & Technology 26.12(2010):1057-1062.