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Tunable magnetic anisotropy in 2D magnets via molecular adsorption
Journal of Materials Chemistry C ( IF 5.7 ) Pub Date : 2020-09-29 , DOI: 10.1039/d0tc04049e
Cheng Tang 1, 2, 3, 4, 5 , Lei Zhang 1, 2, 3, 4, 5 , Aijun Du 1, 2, 3, 4, 5
Affiliation  

2D ferromagnets show promising applications in low energy spintronics. However, the small magnetic anisotropy imposes a great limitation on the application scope. By using first principles modelling, we for the first-time report substantial tuning of magnetic anisotropy of a ferromagnetic CrI3 monolayer via a molecular adsorption strategy. We find that electron or hole doping has a significant impact on the magnetic anisotropy energy of 2D CrI3. Then we propose to realize charge carrier doping by the adsorption of electrophilic/nucleophilic molecules (TCNQ/TTF) on 2D CrI3. The largely controllable magnetic anisotropy is confirmed due to the interfacial electrostatic effects. Additionally, the out-of-plane magnetic anisotropy is also sensitive to the concentrations of organic molecules. The highest value reaches 1.17 meV Cr−1 in the hole-doped TCNQ-CrI3, while the lowest one is 0.20 meV Cr−1 in the electron-doped TTF-CrI3. Our work offers a feasible route to modulate the magnetic anisotropy of 2D magnets for practical magnetic applications.

中文翻译:

通过分子吸附可调节2D磁体中的磁各向异性

二维铁磁体在低能自旋电子学中显示出广阔的应用前景。但是,小的磁各向异性对应用范围造成很大的限制。通过使用第一原理建模,我们首次报告了通过分子吸附策略对铁磁CrI 3单层的各向异性进行了实质性调整。我们发现电子或空穴掺杂对2D CrI 3的磁各向异性能有重大影响。然后我们提出通过在2D CrI 3上吸附亲电/亲核分子(TCNQ / TTF)来实现载流子掺杂。由于界面静电效应,证实了在很大程度上可控制的磁各向异性。另外,面外磁各向异性也对有机分子的浓度敏感。空穴掺杂的TCNQ-CrI 3中的最大值达到1.17meV Cr -1,而电子掺杂的TTF-CrI 3中的最小值为0.20meV Cr -1。我们的工作为实际的磁性应用提供了一种可行的方法来调节2D磁体的磁各向异性。
更新日期:2020-10-14
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