The influence of Ni additions on the relative stability of η and η′ Cu6Sn5

U Schwingenschlögl, C Di Paola, K Nogita… - Applied Physics …, 2010 - pubs.aip.org
We investigate how 5 at.% Ni influences the relative stability of η and η′ Cu 6 Sn 5⁠.
Synchrotron x-ray diffraction shows that, while Cu 6 Sn 5 exists as η′ at 25 and 150 C and
transforms to η on heating to 200 C⁠, Cu 5.5 Ni 0.5 Sn 5 is best fit to η throughout 25–200
C⁠. Our first principles calculations predict that η′ is stable at T= 0 K in both Cu 6 Sn 5 and
Cu 5.5 Ni 0.5 Sn 5⁠, but that the energy difference is substantially reduced from 1.21 to 0.90
eV per 22 atom cell by the Ni addition. This effect is attributed to Ni developing distinct …
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