Chen Qian, Wang Ruqian, Huang Zhaocong, Yuan Shijun, Wang Haowei, Ma Liang, Wang Jinlan
School of Physics, Southeast University, Nanjing, 211189, China.
Nanoscale. 2021 Mar 28;13(12):6024-6029. doi: 10.1039/d0nr08296a. Epub 2021 Mar 2.
Magnetic semiconductors with high critical temperature have long been the focus in materials science and are also known as one of the fundamental questions in two-dimensional (2D) materials. Based on density functional theory calculations, we predict a 2D spin-gapless ferromagnetic semiconductor of CrGaSe monolayer, in which the type of spin-polarized current can be tuned by tailoring the Fermi energy. Moreover, the magnetic anisotropy energy calculations indicate that the CrGaSe monolayer possesses spin anisotropy both in the basal plane and the vertical plane. This originates from the distortion-induced rearrangement of the 3d electrons in the CrSe octahedron and results in an inclined easy axis out of the film. The Curie temperature (T) of ferromagnetic phase transition for 2D CrGaSe is more than 200 K. This 2D material shows promising transport properties for spintronics applications and is also important for fundamental research in 2D magnetism.
具有高临界温度的磁性半导体长期以来一直是材料科学的研究重点，也是二维（2D）材料中的基本问题之一。基于密度泛函理论计算，我们预测了CrGaSe单层的二维自旋无隙铁磁半导体，其中自旋极化电流的类型可以通过调整费米能来调节。此外，磁各向异性能量计算表明，CrGaSe单层在基面和垂直面都具有自旋各向异性。这源于CrSe八面体中3d电子的畸变诱导重排，并导致薄膜外出现倾斜的易轴。二维CrGaSe铁磁相变的居里温度（T）超过200K。这种二维材料在自旋电子学应用中显示出有前景的输运特性，对二维磁性的基础研究也很重要。
