Suppression of Co-Cr antisite defect and robust half metallicity in CoMCrAl (M = Mn, Fe) Heusler alloys
Suppression of Co-Cr antisite defect and robust half metallicity in CoMCrAl (M = Mn, Fe) Heusler alloys
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CoMCrAl (M = Mn, Fe) Heusler 合金中 Co-Cr 反位缺陷的抑制和稳健的半金属性
DOI：
10.1016/j.jallcom.2021.161856
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发表时间：
2022-01
影响因子：
6.2
通讯作者：
Xiong Rui
中科院分区：
文献类型：
--
作者：
Wang Gao;Li Chunrong;Feng Jindi;Zhang Zhenhua;Yuan Xiaojuan;Liu Yong;Song Shupeng;Liu Jing;Wang Dengjing;Lu Zhihong;Xiong Rui
对四元合金CoMnCrAl、CoFeCrAl及其三元合金Co2 CrAl进行了实验和理论研究，探讨了Mn或Fe原子替代Co2 CrAl中部分Co原子的作用。发现CoMnCrAl或CoFeCrAl具有0.92 μB/f. u的磁化强度。或1.96 μB/f.u.分别符合Slater-Pauling（SP）规则，不同于母体三元合金Co2 CrAl的磁化强度明显偏离。实验和理论结果表明，Mn或Fe部分替代Co抑制了Co-Cr反位缺陷的形成，CoMnCrAl中的主要无序缺陷为Cr-Al和Mn-Cr反位，CoMnCrAl中的Fe-Cr和Cr-Al反位。由于这些反位缺陷对少数能带结构的影响很小，因此与Co2 CrAl相比，CoMnCrAl或CoFeCrAl的半金属度预计对原子无序具有更好的容忍度。在10-273 K的较长温度范围内，只有CoMnCrAl化合物具有负的电阻温度系数。四元合金CoMnCrAl或CoFeCrAl具有补偿亚铁磁性，其磁化强度较低，但居里温度（TC）明显高于三元合金Co2 CrAl。这两种四元合金具有较低的磁化强度、较高的Tc和较强的半金属性，在自旋电子器件中有重要的应用前景。
Quaternary alloys CoMnCrAl, CoFeCrAl and their ternary counterpart Co2CrAl are studied experimentally and theoretically to explore the effects of the substitution of Mn or Fe atoms for part of Co atoms in Co2CrAl. It is found that CoMnCrAl or CoFeCrAl has a magnetization 0.92 μB/f.u. or 1.96 μB/f.u. respectively in agreement with the Slater–Pauling (SP) rule, different from the parent ternary alloy Co2CrAl whose magnetization significantly deviates. The combination of experimental and theoretical results suggests that the formation of Co-Cr antisite defect is suppressed by partially substituting Mn or Fe for Co. The main disorder defects in CoMnCrAl are Cr-Al and Mn-Cr antisites, Fe-Cr and Cr-Al antisites in CoMnCrAl. Since these antisite defects only have small effect on the minority band structure, the half metallicity of CoMnCrAl or CoFeCrAl is expected to have much better tolerance for atomic disorder, compared with Co2CrAl. A negative temperature coefficient of resistance for a long temperature range about 10–273 K has been found exclusively for CoMnCrAl compound. Quaternary alloy CoMnCrAl or CoFeCrAl is found to be compensated ferrimagnetism with a relative low magnetization but a Curie temperature (TC) significantly higher room temperature (RT), whose magnetization are relatively low, butTChigher than the ternary alloy Co2CrAl. Considering their low magnetization, decently highTCand the robust half metallicity, these two quaternary alloys may have important applications in spintronic devices.
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影响因子：
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作者：
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通讯作者：
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