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Influence of Cr-doping on the formation, martensitic transformation and magnetic properties of Mn2NiGa1-xCrx (x = 0–0.5) ribbon samples
Journal of Physics and Chemistry of Solids ( IF 4 ) Pub Date : 2021-06-02 , DOI: 10.1016/j.jpcs.2021.110204
Kaichen Sun , Xiangyu Shi , Ruirui Gao , Hongzhi Luo

Mn2NiGa1-xCrx (x = 0–0.5) alloys were synthesized successfully to explore possible Cr-based all-d-metal Heusler alloys with magnetic shape memory effects. When x = 0–0.25, Mn2NiGa1-xCrx are single BCC Heusler phase, but when x = 0.375 some FCC phase co-exists with the main Heusler phase, finally a pure FCC phase is formed in Mn2NiGa0.5Cr0.5. In BCC Mn2NiGa1-xCrx, Cr-doping leads to the decrease of martensitic transformation temperature TM and increase of the saturation magnetization Ms at 5 K. While the FCC phase does not show the trace of phase transition and has a very low magnetization till 5 K. First-principles calculations suggest that, in BCC Mn2NiGa1-xCrx the partial spin moment of Cr is large and parallel to that of Mn (B), which leads to the increase of Ms when x = 0–0.25. A higher stability of the martensite than the austenite is found, which supports the phase transition observed experimentally. It may be noticed that the TM of Mn2NiGa1-xCrx decreases with both increasing e/a and decreasing cell volume, which is opposite to the empirical rule in traditional Heusler alloys. Calculation suggests that Cr–Ga disorder may be a possible reason for this decrease.



中文翻译:

Cr掺杂对Mn 2 NiGa 1-x Cr x (x = 0-0.5)带状样品的形成、马氏体相变和磁性能的影响

的Mn 2 NiGa 1-x的Cr X(X = 0-0.5)合金成功地合成探索可能Cr系清一色d -金属哈斯勒合金磁性形状记忆效应。当 x = 0-0.25 时,Mn 2 NiGa 1-x Cr x是单一的 BCC Heusler 相,但当 x = 0.375 时,一些 FCC 相与主 Heusler 相共存,最终在 Mn 2 NiGa 0.5 中形成纯 FCC 相铬0.5。在BCC Mn 2 NiGa 1-x Cr x 中,Cr掺杂导致马氏体转变温度T M降低并且在 5 K 时饱和磁化强度 M s增加。而 FCC 相没有显示相变痕迹,并且在 5 K 之前具有非常低的磁化强度。第一性原理计算表明,在 BCC Mn 2 NiGa 1-x Cr x Cr 的部分自旋矩较大并且与 Mn (B) 的部分自旋矩平行,这导致当 x = 0-0.25 时M s增加。发现马氏体的稳定性高于奥氏体,这支持了实验观察到的相变。可以注意到,Mn 2 NiGa 1-x Cr x的 T M随 e/a 的增加和电池体积的减小而减小,这与传统 Heusler 合金的经验法则相反。计算表明,Cr-Ga 无序可能是这种减少的一个可能原因。

更新日期:2021-06-09
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