Rani S, Nair A K, Venkata Kamalakar M, Ray S J
Department of Physics, Indian Institute of Technology Patna, Bihta 801106, India.
Department of Physics and Astronomy, Uppsala University, Box 516, SE-75120, Uppsala, Sweden.
J Phys Condens Matter. 2020 Jul 16;32(41). doi: 10.1088/1361-648X/ab8bf4.
Recent reports on the two-dimensional (2D) material CrOCl revealed magnetic ordering and spin polarisation with Curie Temperature∼ 160 K, values higher than most diluted magnetic semiconductors. Here, we investigate the uniaxial and biaxial strain-dependent electronic and transport properties of CrOCl monolayer using first-principles based calculations. The calculated Young's modulus indicates high mechanical flexibility for the application of high strain. Our study shows that strain can induce phase changes from a bipolar magnetic semiconductor → half metal → magnetic metal in the material, leading to interesting spin-resolved conductance with 100% spin filtering. Furthermore, the current-voltage (-) response showed conductance fluctuations, characterised by peak to valley ratio and switching efficiency offering high strain assisted tunability. Overall, CrOCl shows a highly anisotropic behaviour with the material displaying 100% spin polarisation in the tensile strain region. The electronic, transport and mechanical properties indicate that CrOCl is a versatile 2D material with multi-phase capabilities having promising applications for future nanospintronic devices.
最近关于二维材料CrOCl的报道揭示了其磁有序和自旋极化现象，居里温度约为160K，该值高于大多数稀磁半导体。在此，我们使用基于第一性原理的计算方法，研究了CrOCl单层的单轴和双轴应变相关的电子及输运性质。计算得到的杨氏模量表明该材料在施加高应变时具有较高的机械柔韧性。我们的研究表明，应变可诱导材料发生从双极磁半导体→半金属→磁金属的相变，从而产生具有100%自旋过滤的有趣的自旋分辨电导。此外，电流-电压（I-V）响应显示出电导波动，其特征在于峰谷比和开关效率，具有高应变辅助可调性。总体而言，CrOCl表现出高度各向异性的行为，该材料在拉伸应变区域显示出100%的自旋极化。电子、输运和机械性质表明，CrOCl是一种具有多相能力的多功能二维材料，对未来的纳米自旋电子器件具有广阔的应用前景。
