Site preference and tetragonal distortion in palladium-rich Heusler alloys

Wu, M.; Han, Y.; Bouhemadou, A.; Cheng, Z.; Khenata, R.; Kuang, M.; Wang, X.; Yang, T.; Yuan, H.; Wang, X.

doi:10.1107/S2052252518017578

Figure 9
Total energies as functions of the c/a ratio for Pd₂MnGa and Pd₂FeGa with contraction/expansion of the unit-cell volume. The zero point of the total energy was set to that of the most stable L2₁ cubic phase (c/a = 1).

IUCrJ

Volume 6| Part 2| March 2019| Pages 218-225

ISSN: 2052-2525

https://doi.org/10.1107/S2052252518017578

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