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Figure 4
The total energy and magnetic moment of the disordered structures of PdMnTiAl Heusler alloys from AkaiKKR calculation. The swap disorder degrees of 10% to 90% indicate the element swap ratios, e.g. at point N, 10% means Pd(Ti0.9Al0.1)Mn(Al0.9Ti0.1). Panels (a) and (c)–(e) show the total energy values of different disordered structures, while panels (b) and (f)–(h) show the magnetic moments of different disordered structures. The top two panels (a) and (b) are for structures I–VI, while the bottom smaller panels (c)–(h) are for structures VII–XII.

IUCrJ
Volume 4| Part 4| July 2017| Pages 506-511
ISSN: 2052-2525
https://doi.org/10.1107/S205225251700745X