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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
Corresponding AuthorLiu, Z. Q.(zqliu@imr.ac.cn)
2010-12-01
Source PublicationJOURNAL OF MATERIALS SCIENCE & TECHNOLOGY
ISSN1005-0302
Volume26Issue:12Pages:1057-1062
AbstractDensity 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.
KeywordFirst-principles calculation Segregation Bismuth Interface SnBi solder
Funding OrganizationNational Basic Research Program of China ; Chinese Academy of Sciences ; Liaoning Natural Science Foundation of China
Indexed BySCI
Language英语
Funding ProjectNational 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 Research AreaMaterials Science ; Metallurgy & Metallurgical Engineering
WOS SubjectMaterials Science, Multidisciplinary ; Metallurgy & Metallurgical Engineering
WOS IDWOS:000286153900001
PublisherJOURNAL MATER SCI TECHNOL
Citation statistics
Cited Times:8[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.imr.ac.cn/handle/321006/102661
Collection中国科学院金属研究所
Corresponding AuthorLiu, Z. Q.
Affiliation1.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
Recommended Citation
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.
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