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arXiv 2201.07356cond-mat.mtrl-sci
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高温反铁磁体Cr2Al的面内磁结构和交换作用

In-plane magnetic structure and exchange interactions in the high-temperature antiferromagnet Cr2Al

Chengxi Zhao, Kisung Kang, Joerg C. Neuefeind, Andre Schleife, Daniel P. Shoemaker

摘要:

有序的四元金属间化合物Cr $_2$ Al形成与Mn $_2$ Au相同的结构类型,并且后者由于其简并的面内Néel矢量而在反铁磁自旋电子学中具有潜在的应用价值。我们介绍了Cr $_2$ Al单晶的助熔剂生长和取向相关的磁性。Cr $_2$ Al的粉末中子衍射和第一原理模拟揭示,磁有序可能是在平面内,因此与Mn $_2$ Au相同,提供了MoSi $_2$结构类型中的第二种材料候选物,以评估支配自旋电子效应的基本相互作用。在热分析和电阻率中观察到的单一有序转变表明,沿着$c$轴的矩不可能倾斜。磁性测定、电阻率和差示扫描量热法测量证实Néel温度为$634 \pm 2$ K。第一性原理模拟表明,该系统在费米能级有一个小的态密度,并确认最低能量的磁基态有序,而蒙特卡罗模拟匹配的实验Néel温度。

英文摘要:

The ordered tetragonal intermetallic Cr$_2$Al forms the same structure type as Mn$_2$Au, and the latter has been heavily investigated for its potential in antiferromagnetic spintronics due to its degenerate in-plane Néel vector. We present the single crystal flux growth of Cr$_2$Al and orientation-dependent magnetic properties. Powder neutron diffraction of Cr$_2$Al and first-principles simulations reveal that the magnetic ordering is likely in-plane and therefore identical to Mn$_2$Au, providing a second material candidate in the MoSi$_2$ structure type to evaluate the fundamental interactions that govern spintronic effects. The single ordering transition seen in thermal analysis and resistivity indicates that no canting of the moments along the $c$ axis is likely. Magnetometry, resistivity, and differential scanning calorimetry measurements confirm the Néel temperature to be $634 \pm 2$ K. First-principles simulations indicate that the system has a small density of states at the Fermi energy and confirm the lowest-energy magnetic ground state ordering, while Monte Carlo simulations match the experimental Néel temperature.

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