We investigate how 5 at. % Ni influences the relative stability of η and η′ Cu6Sn5. Synchrotron x-ray diffraction shows that, while Cu6Sn5 exists as η′ at 25 and 150 °C and transforms to η on heating to 200 °C, Cu5.5Ni0.5Sn5 is best fit to η throughout 25–200 °C. Our first principles calculations predict that η′ is stable at T=0 K in both Cu6Sn5 and Cu5.5Ni0.5Sn5, 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 bonding to both Cu and Sn in the η phase.
Bibliographical noteKAUST Repository Item: Exported on 2020-10-01
ASJC Scopus subject areas
- Physics and Astronomy (miscellaneous)