Bo Li, Wang Gao, Qing Jiang. Determinants of local chemical environments and magnetic moments of high-entropy alloys[J]. 材料研究快报(英文), 2023,11(4):259-265.
Bo Li, Wang Gao, Qing Jiang. Determinants of local chemical environments and magnetic moments of high-entropy alloys[J]. Materials Research Letters, 2023, 11(4): 259-265.
Bo Li, Wang Gao, Qing Jiang. Determinants of local chemical environments and magnetic moments of high-entropy alloys[J]. 材料研究快报(英文), 2023,11(4):259-265.DOI: 10.1080/21663831.2022.2144773.
Bo Li, Wang Gao, Qing Jiang. Determinants of local chemical environments and magnetic moments of high-entropy alloys[J]. Materials Research Letters, 2023, 11(4): 259-265.DOI: 10.1080/21663831.2022.2144773.
Determinants of local chemical environments and magnetic moments of high-entropy alloys
BSTRACTWe identify the state-associated cohesive energy and band filling as descriptors to quantify the site-to-site chemical bonding and magnetic moments of high-entropy alloys (HEAs). We find that the s-state cohesive energy is indispensable in determining the bonding-strength trend while the s-band filling is effective in determining the magnetic moments of CrMnFeCoNi HEAs. This unusual behavior stems from the localized and transferred itinerant electrons. Our study establishes a fundamental physical picture of chemical-bonding and magnetic interactions of HEAs and helps design advanced structural alloys.