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

被引：8
|
作者：
Li, Bo [1 ]
Gao, Wang [1 ]
Jiang, Qing [1 ]
机构：
[1] Jilin Univ, Dept Mat Sci & Engn, Key Lab Automobile Mat, Minist Educ, Changchun, Peoples R China
来源：
MATERIALS RESEARCH LETTERS | 2023年 / 11卷 / 04期
基金：
中国国家自然科学基金;
关键词：
CrMnFeCoNi; Chemical and magnetic disorder; State-associated descriptors; First-principles calculations; ENERGY;
D O I：
10.1080/21663831.2022.2144773
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
We 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.
引用
收藏
页码：259 / 265
页数：7
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