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Formation and magnetic properties of hexagonal DO19 phase in Fe2MnGa: An experimental and theoretical investigation
Intermetallics ( IF 4.3 ) Pub Date : 2020-02-01 , DOI: 10.1016/j.intermet.2019.106671
Qingshuai Li , Kaichen Sun , Shuang Liu , Hongzhi Luo , Fanbin Meng

Abstract The formation and magnetic properties of Fe2MnGa hexagonal DO19 phase were investigated in detail. Hexagonal Fe2MnGa can be stabilized by furnace cooling, while the FCC phase can be obtained by quenching from high temperature. Strong ferromagnetic character is identified in Fe2MnGa DO19 phase. Its saturation magnetic moment Ms at 5 K is as large as 4.40 μB/f.u. and Curie temperature TC is 563 K. First-principles calculations indicate that Fe and Mn atoms tend to occupy the 6h sites randomly in the DO19 lattice. The DO19 type Fe2MnGa shows a normal ferromagnetic metal character in its electronic structure. Similar to the experimental results, the calculated total magnetic moment is also quite large and mainly comes from the contributions of Fe and Mn spin moments. Both of them are larger than 1.8 μB and are parallel coupled. These properties are quite different from the antiferromagnetic character in FCC Fe2MnGa.

中文翻译:

Fe2MnGa中六方DO19相的形成和磁性:实验和理论研究

摘要 详细研究了Fe2MnGa六方DO19相的形成和磁性。六方Fe2MnGa可以通过炉冷稳定,而FCC相可以通过高温淬火获得。Fe2MnGa DO19 相具有强铁磁性。其在 5 K 时的饱和磁矩 Ms 高达 4.40 μB/fu,居里温度 TC 为 563 K。第一性原理计算表明,Fe 和 Mn 原子倾向于随机占据 DO19 晶格中的 6h 位点。DO19 型 Fe2MnGa 在其电子结构中显示出正常的铁磁金属特性。与实验结果相似,计算的总磁矩也相当大,主要来自 Fe 和 Mn 自旋矩的贡献。它们都大于 1.8 μB 并并联耦合。
更新日期:2020-02-01
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