Weakening of the Cu/Cu(3)Sn(100) Interface by Bi Impurities

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	Weakening of the Cu/Cu(3)Sn(100) Interface by Bi Impurities
	X. Y. Pang; P. J. Shang; S. Q. Wang; Z. Q. Liu; J. K. Shang
	2010
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/Cu(3)Sn(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.
部门归属	[pang, x. y.; shang, p. j.; wang, s. q.; liu, z. 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.;pang, xy (reprint author), chinese acad sci, shenyang natl lab mat sci, inst met res, shenyang 110016, peoples r china;zqliu@imr.ac.cn
关键词	Dft Bismuth Impurity Interface Bonding Solder Interconnect Molecular-dynamics Bismuth Solder Embrittlement Joints Copper Cu3sn Pseudopotentials Segregation Fracture
URL	查看原文
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/31407
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	X. Y. Pang,P. J. Shang,S. Q. Wang,et al. Weakening of the Cu/Cu(3)Sn(100) Interface by Bi Impurities[J]. Journal of Electronic Materials,2010,39(8):1277-1282.
APA	X. Y. Pang,P. J. Shang,S. Q. Wang,Z. Q. Liu,&J. K. Shang.(2010).Weakening of the Cu/Cu(3)Sn(100) Interface by Bi Impurities.Journal of Electronic Materials,39(8),1277-1282.
MLA	X. Y. Pang,et al."Weakening of the Cu/Cu(3)Sn(100) Interface by Bi Impurities".Journal of Electronic Materials 39.8(2010):1277-1282.