Yu Zhichao, Bai Haoyun, Li Bowen, Li Lun, Pan Hui
Institute of Applied Physics and Materials Engineering, University of Macau, Macao SAR 999708, P. R. China.
2027 Laboratory, Tianfu Xinglong Lake Laboratory, Chengdu, Sichuan 610000, P. R. China.
J Phys Chem Lett. 2024 Feb 22;15(7):1795-1801. doi: 10.1021/acs.jpclett.3c03527. Epub 2024 Feb 8.
Two-dimensional (2D) materials have provided a fascinating platform for exploring novel multiferroics and emergent magnetoelectric coupling mechanisms. Here, a novel 2D asymmetric multiferroic based on Janus 2D multiferroic MXene-analogous oxynitrides (InTlNO) is presented by using first-principles calculations. We find three inequivalent phases for InTlNO, including two metallic phases (p1 and p2) and one semiconducting phase (p3) with a band gap of 0.88 eV. All phases are room-temperature multiferroics with different Curie temperatures, leading to tunability by phase transitions. We show that there is a 90° rotation of the magnetic anisotropy easy axis between p1 and p2, where p1 favors the in-plane and p2 the out-of-plane easy axis. Therefore, the magnetic anisotropy can be tuned by reversing the out-of-plane polarization. Our strategy provides a unique way toward strong magnetoelectric coupling and multistate memory.
二维(2D)材料为探索新型多铁性材料和新兴磁电耦合机制提供了一个引人入胜的平台。在此,通过第一性原理计算,提出了一种基于Janus二维多铁性类MXene氮氧化物(InTlNO)的新型二维不对称多铁性材料。我们发现InTlNO有三个不等价相,包括两个金属相(p1和p2)和一个带隙为0.88 eV的半导体相(p3)。所有相都是具有不同居里温度的室温多铁性材料,可通过相变实现可调谐性。我们表明,p1和p2之间的磁各向异性易轴存在90°旋转,其中p1有利于面内易轴,p2有利于面外易轴。因此,可通过反转面外极化来调节磁各向异性。我们的策略为实现强磁电耦合和多态存储提供了一条独特途径。