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Alloying Effects on the Phase Stability and Mechanical Properties of Doped Cu-Sn IMCs: A First-Principle Study

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Abstract

Cu-Sn phases are important intermetallic compounds formed at the interface between solder and substrate in the soldering process. They exist in several crystal structures (η′, η, η 1 and η 2, etc.). The solid-state phase transformation that occurs among Cu-Sn intermetallic compounds is a crucial issue for industry applications, because the associated volume change inevitably leads to microstructural instability. Generally, four alloying elements, i.e., Ni, Au, Zn, and indium (In), are used as alloying elements to stabilize the high temperature hexagonal η-phase. However, the physical mechanism of this stabilization effect, especially on the high temperature η 1 and η 2 phases, is still unclear. In the present study, first-principle calculations were performed to study the stability and mechanical properties of Cu5Sn4 (η 1 and η 2) and Cu6Sn5 (η′) when doped with Ni, Au, Zn, and indium alloying elements. It is shown that their phase stability and mechanical properties could be enhanced by these elements in some circumstances. Ni-doping can significantly enhance both the stability and the mechanical properties of the three phases, whereas Zn-doping exhibits a significant effect on that of the η 2 phase.

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Acknowledgements

This work is supported by the National Natural Science Foundation of China (Nos. 11427806, 51471067, 51371081, 51171063), the National Basic Research (973) Program of China (No. 2009CB623704), and Hunan Provincial Natural Science Foundation of China (No. 14JJ4052). The author thanks Dr. Kazuhiro Nogita from the University of Queensland for his valuable input on the early stage of this project.

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Authors and Affiliations

  1. Center for High Resolution Electron Microscopy, College of Materials Science and Engineering, Hunan University, Changsha, 410082, China

    Yong Zhang, Ding-Wang Yuan, Jiang-Hua Chen, Tou-Wen Fan, Zi-Ran Liu, Cui-Lan Wu & Ling-Hong Liu

  2. Hunan Province Key Laboratory for Spray Deposition Technology and Application, Hunan University, Changsha, 410082, China

    Ding-Wang Yuan

  3. Nihon Superior Centre for the Manufacture of Electronic Materials (NS CMEM), School of Mechanical and Mining Engineering, The University of Queensland, Brisbane, QLD, 4072, Australia

    Guang Zeng

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  1. Yong Zhang
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  2. Ding-Wang Yuan
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  3. Jiang-Hua Chen
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  4. Guang Zeng
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  5. Tou-Wen Fan
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  8. Ling-Hong Liu
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Correspondence to Jiang-Hua Chen.

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Zhang, Y., Yuan, DW., Chen, JH. et al. Alloying Effects on the Phase Stability and Mechanical Properties of Doped Cu-Sn IMCs: A First-Principle Study. J. Electron. Mater. 45, 4018–4027 (2016). https://doi.org/10.1007/s11664-016-4605-3

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  • DOI: https://doi.org/10.1007/s11664-016-4605-3

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