Stabilization of η-Cu6Sn5 Intermetallic Compound by Zn Addition: First-Principles Investigation

doi:10.1088/0256-307X/31/5/057101

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Abstract：The structural phase transformation and electronic properties of Cu₆Sn₅ with and without Zn addition are analyzed based on the first principles calculations. The results indicate that the energy difference between the η phase and the η' phase decreases significantly after Zn addition at finite temperature. This implies that the high temperature η-phase Cu₆(Sn,Zn)₅ will be stabilized. Moreover, the bulk modulus is also improved after Zn addition. We attribute the corresponding structural stabilization to the relatively strong Zn–Cu and Zn–Sn bonding in the η-Cu₆(Sn,Zn)₅.

出版日期: 2014-04-24

:	71.15.Mb	(Density functional theory, local density approximation, gradient and other corrections)
	64.70.K	(Solid-solid transitions)
	71.20.Lp	(Intermetallic compounds)

引用本文:

. [J]. 中国物理快报, 2014, 31(05): 57101-057101.
ZHOU Wei, LIU Yan-Yu. Stabilization of η-Cu₆Sn₅ Intermetallic Compound by Zn Addition: First-Principles Investigation. Chin. Phys. Lett., 2014, 31(05): 57101-057101.

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https://cpl.iphy.ac.cn/CN/10.1088/0256-307X/31/5/057101 或 https://cpl.iphy.ac.cn/CN/Y2014/V31/I05/57101

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