Prediction of room-temperature ferromagnetism and large perpendicular magnetic anisotropy in a planar hypercoordinate FeB3 monolayer,Nanoscale Horizons

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Prediction of room-temperature ferromagnetism and large perpendicular magnetic anisotropy in a planar hypercoordinate FeB3 monolayer
Nanoscale Horizons ( IF 8.0 ) Pub Date : 2020-11-13 , DOI: 10.1039/d0nh00598c
Cheng Tang _{1,

2,

3,

4,

5} , Kostya (Ken) Ostrikov _{1,

2,

3,

4,

5} , Stefano Sanvito _{6,

7,

8,

9} , Aijun Du _{1,

2,

3,

4,

5}

Affiliation

Two-dimensional (2D) magnets simultaneously possessing a high transition temperature and large perpendicular magnetic anisotropy are extremely rare, but essential for highly efficient spintronic applications. By using ab initio and global minimization approaches, we for the first time report a completely planar hypercoordinate metalloborophene (α-FeB₃) with high stability, unusual stoichiometry and exceptional magnetoelectronic properties. The α-FeB₃ monolayer exhibits room-temperature ferromagnetism (T_c = 480 K), whose origin is first revealed by the B-mediated RKKY interaction in the 2D regime. Its perpendicular magnetic anisotropy is almost six times larger than that of the experimentally realized 2D CrI₃ and Fe₃GeTe₂. Moreover, metallic α-FeB₃ shows n- and p-type Dirac transport with a high Fermi velocity in both spin channels. Our results not only highlight a promising 2D ferromagnet for advanced spintronics, but also pave the way for exploring novel 2D magnetism in boron-based magnetic allotropes.

中文翻译：

平面超坐标FeB3单层中室温铁磁和大垂直磁各向异性的预测

同时具有较高的转变温度和较大的垂直磁各向异性的二维（2D）磁体极为罕见，但对于高效自旋电子学应用而言必不可少。通过使用从头计算和全局优化方法，我们首次报告完全平面hypercoordinate metalloborophene（α-FEB ₃具有高稳定性，不寻常的化学计量和出色的性能磁电子）。α-的FeB ₃单层展品室温铁磁性（Ť _ç = 480 K），其原点首先通过在2D制度的B介导的相互作用RKKY揭示。它的垂直磁各向异性几乎是实验实现的2D CrI _3的六倍和Fe ₃ GeTe ₂。此外，金属α-FEB ₃示出了n型和p型狄拉克传输与在两个自旋信道的高费米速度。我们的研究结果不仅突显了用于高级自旋电子学的有前途的2D铁磁体，而且还为探索硼基同素异形体中新颖的2D磁性铺平了道路。

更新日期：2020-11-27

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