Competition between cubic and tetragonal phases in all-d-metal Heusler alloys, X2−xMn1+xV (X = Pd, Ni, Pt, Ag, Au, Ir, Co; x = 1, 0): a new potential direction of the Heusler family

Han, Y.; Wu, M.; Feng, Y.; Cheng, Z.; Lin, T.; Yang, T.; Khenata, R.; Wang, X.

doi:10.1107/S2052252519004007

Figure 5
Total energy as a function of the c/a ratio for (a) Ag₂MnV and (b) Pd₂MnV with contraction/expansion of the unit-cell volume. (c) ΔE_M as functions of the V_opt + X%V_opt (x = −3, −2, −1, 0, 1, 2, 3) for Ag₂MnV and Pd₂MnV.

IUCrJ

Volume 6| Part 3| May 2019| Pages 465-472

ISSN: 2052-2525

https://doi.org/10.1107/S2052252519004007

MATERIALS | COMPUTATION

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