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Original reports

Determinants of local chemical environments and magnetic moments of high-entropy alloys

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Pages 259-265 | Received 24 Oct 2022, Published online: 11 Nov 2022

Figures & data

Figure 1 The non-spin-polarized Hvf against the state-associated cohesive energies in CrMnFeCoNi HEAs. a and b, The Fe, Co and Ni’s Hvf against the Ecoh-d. c and d, Comparison between Ecoh-d and Ecoh-sd in describing Cr and Mn’s Hvf. e, The Fe, Co, Cr and Mn’s Hvf against the combined descriptor DCE.

Figure 1 The non-spin-polarized Hvf against the state-associated cohesive energies in CrMnFeCoNi HEAs. a and b, The Fe, Co and Ni’s Hvf against the Ecoh-d. c and d, Comparison between Ecoh-d and Ecoh-sd in describing Cr and Mn’s Hvf. e, The Fe, Co, Cr and Mn’s Hvf against the combined descriptor DCE.

Figure 2 Comparison between ns and nt in describing the local magnetic moments of CrMnFeCoNi HEAs. a-f, Tetrahedrons of six different bulk structures T1–T6.

Figure 2 Comparison between ns and nt in describing the local magnetic moments of CrMnFeCoNi HEAs. a-f, Tetrahedrons of six different bulk structures T1–T6.

Figure 3 Comparison between ns and nt in describing the average magnetic moments of each vacancy’s 1nn-shell atoms of CrMnFeCoNi HEAs. a and b, Cr vacancies. c and d, Co and Fe vacancies. e and f, Mn and Ni vacancies.

Figure 3 Comparison between ns and nt in describing the average magnetic moments of each vacancy’s 1nn-shell atoms of CrMnFeCoNi HEAs. a and b, Cr vacancies. c and d, Co and Fe vacancies. e and f, Mn and Ni vacancies.

Figure 4 The electron localization function ELF of CrMnFeCoNi HEAs projected on (111) (a) and (010) (b) planes. The region with the deeper red color indicates the more electrons accumulated.

Figure 4 The electron localization function ELF of CrMnFeCoNi HEAs projected on (111) (a) and (010) (b) planes. The region with the deeper red color indicates the more electrons accumulated.
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Supplemental Material

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