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Theoretical study on Sn–Sb-based lead-free solder by ab initio molecular dynamics simulation

Published online by Cambridge University Press:  07 May 2019

Ye Yuan ,
Xiumin Chen ,
Zhiqiang Zhou ,
Yifu Li ,
Baoqiang Xu ,
Dachun Liu  and
Bin Yang
Ye Yuan
Affiliation:
National Engineering Laboratory for Vacuum Metallurgy, Kunming University of Science and Technology, Kunming 650093, People’s Republic of China; and Yunnan Provincial Key Laboratory for Nonferrous Vacuum Metallurgy, Kunming University of Science and Technology, Kunming 650093, People’s Republic of China
Xiumin Chen*
Affiliation:
State Key Laboratory of Complex Nonferrous Metal Resources Clear Utilization, Kunming University of Science and Technology, Kunming 650093, People’s Republic of China; National Engineering Laboratory for Vacuum Metallurgy, Kunming University of Science and Technology, Kunming 650093, People’s Republic of China; and Yunnan Provincial Key Laboratory for Nonferrous Vacuum Metallurgy, Kunming University of Science and Technology, Kunming 650093, People’s Republic of China
Zhiqiang Zhou
Affiliation:
State Key Laboratory of Complex Nonferrous Metal Resources Clear Utilization, Kunming University of Science and Technology, Kunming 650093, People’s Republic of China; National Engineering Laboratory for Vacuum Metallurgy, Kunming University of Science and Technology, Kunming 650093, People’s Republic of China; and Yunnan Provincial Key Laboratory for Nonferrous Vacuum Metallurgy, Kunming University of Science and Technology, Kunming 650093, People’s Republic of China
Yifu Li
Affiliation:
National Engineering Laboratory for Vacuum Metallurgy, Kunming University of Science and Technology, Kunming 650093, People’s Republic of China; and Yunnan Provincial Key Laboratory for Nonferrous Vacuum Metallurgy, Kunming University of Science and Technology, Kunming 650093, People’s Republic of China
Baoqiang Xu
Affiliation:
State Key Laboratory of Complex Nonferrous Metal Resources Clear Utilization, Kunming University of Science and Technology, Kunming 650093, People’s Republic of China; National Engineering Laboratory for Vacuum Metallurgy, Kunming University of Science and Technology, Kunming 650093, People’s Republic of China; and Yunnan Provincial Key Laboratory for Nonferrous Vacuum Metallurgy, Kunming University of Science and Technology, Kunming 650093, People’s Republic of China
Dachun Liu
Affiliation:
National Engineering Laboratory for Vacuum Metallurgy, Kunming University of Science and Technology, Kunming 650093, People’s Republic of China; and Yunnan Provincial Key Laboratory for Nonferrous Vacuum Metallurgy, Kunming University of Science and Technology, Kunming 650093, People’s Republic of China
Bin Yang*
Affiliation:
State Key Laboratory of Complex Nonferrous Metal Resources Clear Utilization, Kunming University of Science and Technology, Kunming 650093, People’s Republic of China; National Engineering Laboratory for Vacuum Metallurgy, Kunming University of Science and Technology, Kunming 650093, People’s Republic of China; and Yunnan Provincial Key Laboratory for Nonferrous Vacuum Metallurgy, Kunming University of Science and Technology, Kunming 650093, People’s Republic of China
*
a)Address all correspondence to these authors. e-mail: [email protected]
b)e-mail: [email protected]
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Abstract

Sn–Sb alloy is an ideal candidate for lead-free solder; however, its performance has been inferior to that of Sn–Pb alloy. Here, the authors used ab initio molecular dynamics simulation to investigate the interatomic interaction in Sn–Sb-based lead-free solders. By calculating the electron density distribution, bond population, and partial density of states, the authors found that the Sn–Sb bonds are a mixture of nonlocalized metal and localized covalent bonds. The covalent bond between Sn and Sb is easy to break at higher temperatures, so Sn–Sb (6.4 wt%) had better fluidity than other studied Sn–Sb alloys. Furthermore, adding Cu or Ag into Sn–Sb alloys can decrease the strength of covalent bonds and stabilize the metal bonds, which improves the metallicity and wettability of the Sn–Sb–Cu and Sn–Sb–Cu–Ag systems when the temperature increases. These results are all in good agreement with experimental findings and have significant value for the development of new solder alloys.

Keywords

DFTSn–Sblead-free solder
Type
Article
Information
Journal of Materials Research , Volume 34 , Issue 14 , 28 July 2019 , pp. 2543 - 2553
Copyright
Copyright © Materials Research Society 2019 

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References

Li, G., Shi, Y., Hao, H., Xia, Z., Lei, Y., Guo, F., and Li, X.: Effect of rare earth addition on shear strength of SnAgCu lead-free solder joints. J. Mater. Sci.: Mater. Electron. 20, 186 (2009).Google Scholar
Wang, A., Li, Y., Yang, B., Xu, B., Kong, L., and Liu, D.: Process optimization for vacuum distillation of Sn–Sb alloy by response surface methodology. Vacuum 109, 127 (2014).CrossRefGoogle Scholar
Yang, B., Kong, L.X., Bao-Qiang, X.U., Liu, D.C., and Dai, Y.N.: Recycling of metals from waste Sn-based alloys by vacuum separation. Trans. Nonferrous Met. Soc. China 25, 1315 (2015).CrossRefGoogle Scholar
Garner, C.M., Gupta, V., Bissessur, V., Kumar, A. and Aspandiar, R.: Challenges in converting to lead-free electronics. In Electronics Packaging Technology Conference 2000. (EPTC 2000). Proceedings of 3rd. IEEE Xplore, 2000.Google Scholar
Kaygısız, Y., Ocak, Y., Aksöz, S., Keşlioğlu, K., and Maraşlı, N.: Thermal conductivity and interfacial energies of solid Sn3Sb2 in the Sn–Sb peritectic system. Thermochim. Acta 520, 25 (2011).CrossRefGoogle Scholar
Mathew, M.D., Yang, H., Movva, S., and Murty, K.L.: Creep deformation characteristics of tin and tin-based electronic solder alloys. Metall. Mater. Trans. A 36, 99 (2005).CrossRefGoogle Scholar
Geranmayeh, A.R., Nayyeri, G., and Mahmudi, R.: Microstructure and impression creep behavior of lead-free Sn–5Sb solder alloy containing Bi and Ag. Mater. Sci. Eng., A 547, 110 (2012).CrossRefGoogle Scholar
Zhang, H.Y.: General situation of development of lead-free solder. Yunnan Metall. 31, 50 (2002).Google Scholar
Yang, G.Y., Xin, X.U. and Dong, Y.: Contrast performance analysis between lead-free and tin–lead alloys. Electron. Process Technol. 29, 328 (2008).Google Scholar
Awe, O.E. and Oshakuade, O.M.: Theoretical prediction of thermodynamic activities of all components in the Bi–Sb–Sn ternary lead-free solder system and Pb–Bi–Sb–Sn quaternary system. Thermochim. Acta 589, 47 (2014).CrossRefGoogle Scholar
Gain, A.K., Fouzder, T., Chan, Y.C., Sharif, A., Wong, N.B., and Yung, W.K.C.: The influence of addition of Al nano-particles on the microstructure and shear strength of eutectic Sn–Ag–Cu solder on Au/Ni metallized Cu pads. J. Alloys Compd. 506, 216 (2010).CrossRefGoogle Scholar
Novakovic, R., Giuranno, D., Ricci, E., Delsante, S., Li, D., and Borzone, G.: Bulk and surface properties of liquid Sb–Sn alloys. Surf. Sci. 605, 248 (2011).CrossRefGoogle Scholar
Yuan, Y., Borzone, G., Zanicchi, G., and Delsante, S.: Lead-free soldering: Investigation of the Cu–Sn–Sb system along the Sn:Sb = 1:1 isopleth. J. Alloys Compd. 509, 1595 (2011).CrossRefGoogle Scholar
Chen, S.W., Chen, P.Y., and Wang, C.H.: Lowering of Sn–Sb alloy melting points caused by substrate dissolution. J. Electron. Mater. 35, 1982 (2006).CrossRefGoogle Scholar
Pourmajidian, M., Mahmudi, R., Geranmayeh, A.R., Hashemizadeh, S., and Gorgannejad, S.: Effect of Zn and Sb additions on the impression creep behavior of lead-free Sn–3.5Ag solder alloy. J. Electron. Mater. 45, 764 (2016).CrossRefGoogle Scholar
Manasijevic, D., Vrest’Al, J., Minic, D., Kroupa, A., Zivkovic, D., and Zivkovic, Z.: Phase equilibria and thermodynamics of the Bi–Sb–Sn ternary system. J. Alloys Compd. 438, 150 (2007).CrossRefGoogle Scholar
Zhai, W., Zhou, K., Hu, L., and Wei, B.: Determination of the enthalpy of fusion and thermal diffusivity for ternary Cu60−xSnxSb40 alloys. J. Chem. Thermodyn. 95, 159 (2016).CrossRefGoogle Scholar
Chen, S-w., Zi, A-r., Gierlotka, W., Yang, C-f., Wang, C-h., Lin, S-k., and Hsu, C-m.: Phase equilibria of Sn–Sb–Cu system. Mater. Chem. Phys. 132, 703 (2012).CrossRefGoogle Scholar
El-Daly, A.A., Fawzy, A., Mohamad, A.Z., and El-Taher, A.M.: Microstructural evolution and tensile properties of Sn–5Sb solder alloy containing small amount of Ag and Cu. J. Alloys Compd. 509, 4574 (2011).CrossRefGoogle Scholar
Chen, L.d.: The Study of the Effect of Sb on Sn–0.7Cu Lead-free Solder (Harbin University of Science and Technology, Harbin, Heilongjiang province, China 2008).Google Scholar
Lin, C.T. and Lin, K.L.: Contact angle of 63Sn–37Pb and Pb-free solder on Cu plating. Appl. Surf. Sci. 214, 243 (2003).CrossRefGoogle Scholar
Jang, J.W., Kim, P.G., Tu, K.N., and Lee, M.: High-temperature lead-free SnSb solders: Wetting reactions on Cu foils and phased-in Cu–Cr thin films. J. Mater. Res. 14, 3895 (1999).CrossRefGoogle Scholar
Dong, Y.f.: Structure Transition of Lead-free Sn–Sb Base Solder and its Effects on Solidification and Wettability (Hefei University of Technology, Hefei, Anhui province, China, 2013).Google Scholar
Šebo, P., Švec, P., Janičkovič, D., Illeková, E., and Plevachuk, Y.: Interface between Sn–Sb–Cu solder and copper substrate. Mater. Sci. Eng., A 528, 5955 (2011).CrossRefGoogle Scholar
Meng, G.p.: Sn–Ag, Sn–Zn, and Sn–Bi lead-free solder. Electronics Process Technology 23, 75 (2002).Google Scholar
Zhai, W., Zhou, K., Wang, B.J., and Wei, B.: Thermodynamic properties and primary phase structures of ternary Cu90−xSnxSb10 alloys investigated by differential scanning calorimetry and laser flash method. Mater. Lett. 164, 286 (2016).CrossRefGoogle Scholar
Li, Y.y.: Design and Study on Properties in Sn-Based High Multicomponent Temperature Lead-Free Solders (Xiamen University, Xiamen, Fujian province, China 2009).Google Scholar
Esfandyarpour, M.J. and Mahmudi, R.: Microstructure and tensile behavior of Sn–5Sb lead-free solder alloy containing Bi and Cu. Mater. Sci. Eng., A 530, 402 (2011).CrossRefGoogle Scholar
El-Daly, A.A., Mohamad, A.Z., Fawzy, A., and El-Taher, A.M.: Creep behavior of near-peritectic Sn–5Sb solders containing small amount of Ag and Cu. Mater. Sci. Eng., A 528, 1055 (2011).CrossRefGoogle Scholar
Lin, L., Hui, S., Lu, G., Wang, S.L., Wang, X.D., and Lee, D.J.: Molecular dynamics simulations on dissolutive wetting of Al–Ni alloy droplets on NiAl substrate. J. Taiwan Inst. Chem. Eng. 75, 51 (2017).CrossRefGoogle Scholar
Sun, X., Xiao, S., Deng, H., and Hu, W.: Molecular dynamics simulation of wetting behaviors of Li on W surfaces. Fusion Eng. Des. (2016:S0920379616304380).Google Scholar
Chen, B.L. and Li, G.Y.: Influence of Sb on IMC growth in Sn–Ag–Cu–Sb Pb-free solder joints in reflow process. Thin Solid Films 462, 395 (2004).CrossRefGoogle Scholar
Segall, M.D., Pickard, C.J., Shah, R., and Payne, M.C.: Population analysis in plane wave electronic structure calculations. Mol. Phys. 89, 571 (1996).CrossRefGoogle Scholar
Segall, M.D., Shah, R., Pickard, C.J., and Payne, M.C.: Population analysis of plane-wave electronic structure calculations of bulk materials. Phys. Rev. B 54, 16317 (1996).CrossRefGoogle ScholarPubMed
Lapsa, J., Onderka, B., Schmetterer, C., Ipser, H., Yuan, Y., and Borzone, G.: Liquidus determination in the Cu–Sb–Sn ternary system. Thermochim. Acta 519, 55 (2011).CrossRefGoogle Scholar
Thewlis, J.A. and Davey, A.R.: Thermal expansion of grey tin. Nature 174, 1011 (1954).CrossRefGoogle Scholar
Segall, M.D., Lindan, P.J.D., Probert, M.J., Pickard, C.J., Hasnip, P.J., Clark, S.J., and Payne, M.C.: First-principles simulation: Ideas, illustrations and the CASTEP code. J. Phys.: Condens. Matter 14, 2717 (2002).Google Scholar
Perdew, J.P., Burke, K., and Ernzerhof, M.: Perdew, burke, and ernzerhof reply. Phys. Rev. Lett. 80, 891 (1998).CrossRefGoogle Scholar
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