Nair A K, Rani S, Kamalakar M Venkata, Ray S J
Department of Physics, Indian Institute of Technology Patna, Bihta 801106, India.
Phys Chem Chem Phys. 2020 Jun 14;22(22):12806-12813. doi: 10.1039/d0cp01204a. Epub 2020 May 29.
Magnetic phase control and room temperature magnetic stability in two-dimensional (2D) materials are indispensable for realising advanced spintronic and magneto-electronic functions. Our current work employs first-principles calculations to comprehensively study the magnetic behaviour of 2D CrOCl, uncovering the impact of strain and electric field on the material. Our studies have revealed that uniaxial strain leads to the feasibility of room temperature ferromagnetism in the layer and also detected the occurrence of a ferromagnetic → antiferromagnetic phase transition in the system, which is anisotropic along the armchair and zigzag directions. Beyond such a strain effect, the coupling of strain and electric field leads to a remarkable enhancement of the Curie temperature (T) ∼ 450 K in CrOCl. These predictions based on our detailed simulations show the prospect of multi-stimuli magnetic phase control, which could have great significance for realizing magneto-mechanical sensors.
二维（2D）材料中的磁相控制和室温磁稳定性对于实现先进的自旋电子学和磁电子学功能不可或缺。我们目前的工作采用第一性原理计算来全面研究二维CrOCl的磁行为，揭示应变和电场对该材料的影响。我们的研究表明，单轴应变导致该层中室温铁磁性的可行性，并且还检测到系统中发生了铁磁→反铁磁相变，该相变在扶手椅和锯齿方向上是各向异性的。除了这种应变效应之外，应变和电场的耦合导致CrOCl中的居里温度（T）显著提高至约450K。基于我们详细模拟的这些预测显示了多刺激磁相控制的前景，这对于实现磁机械传感器可能具有重大意义。
