Thickness Dependent Magnetic Transition in Few Layer 1T Phase CrTe2,The Journal of Physical Chemistry Letters

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Thickness Dependent Magnetic Transition in Few Layer 1T Phase CrTe2
The Journal of Physical Chemistry Letters ( IF 4.8 ) Pub Date : 2021-07-19 , DOI: 10.1021/acs.jpclett.1c01901
Pengfei Gao ₁ , Xingxing Li _{1,

2} , Jinlong Yang _{1,

2}

Affiliation

Room temperature two-dimensional (2D) ferromagnetism is highly desired in practical spintronics applications. Recently, 1T phase CrTe₂ (1T-CrTe₂) nanosheets with 5 and thicker layers have been successfully synthesized, which all exhibit the properties of ferromagnetic (FM) metals with Curie temperatures around 305 K. However, whether the ferromagnetism therein can be maintained when continuously reducing the nanosheet’s thickness to monolayer limit remains unknown. Here, through first-principles calculations, we explore the evolution of magnetic properties of 1 to 6 layer CrTe₂ nanosheets and several interesting points are found: First, unexpectedly, monolayer CrTe₂ prefers a zigzag antiferromagnetic (AFM) state with its energy much lower than that of FM state. Second, in 2 to 4 layer CrTe₂, both the intralayer and interlayer magnetic coupling are AFM. Last, when the number of layers is equal to or greater than 5, the intralayer and interlayer magnetic coupling become FM. Such highly thickness dependent magnetism provides a new perspective to control the magnetic properties of 2D materials.

中文翻译：

少数层 1T 相 CrTe2 中的厚度相关磁转变

在实际的自旋电子学应用中，非常需要室温二维 (2D) 铁磁性。最近，已经成功合成了具有 5 层及更厚层的1T 相 CrTe ₂ (1T-CrTe ₂ ) 纳米片，它们都表现出居里温度在 305 K 左右的铁磁 (FM) 金属的性质。但是，是否可以保持其中的铁磁性何时将纳米片的厚度连续降低到单层极限仍然未知。在这里，通过第一性原理计算，我们探索了 1 到 6 层 CrTe ₂纳米片磁性能的演变，并发现了几个有趣的点：首先，出乎意料的是，单层 CrTe ₂更喜欢锯齿形反铁磁 (AFM) 状态，其能量远低于 FM 状态。其次，在2至4层CrTe _{2 中}，层内和层间磁耦合都是AFM。最后，当层数等于或大于5时，层内和层间磁耦合变为FM。这种高度依赖于厚度的磁性为控制二维材料的磁性提供了新的视角。

更新日期：2021-07-29

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