High-Temperature Ferromagnetism in an Fe3P Monolayer with a Large Magnetic Anisotropy
High-Temperature Ferromagnetism in an Fe3P Monolayer with a Large Magnetic Anisotropy
复制标题
具有大磁各向异性的 Fe3P 单层中的高温铁磁性
DOI：
10.1021/acs.jpclett.9b00970
复制
发表时间：
2019
影响因子：
5.7
通讯作者：
Yang Guochun
中科院分区：
文献类型：
--
作者：
Zheng Shuang;Huang Chengxi;Yu Tong;Xu Meiling;Zhang Shoutao;Xu Haiyang;Liu Yichun;Kan Erjun;Wang Yanchao;Yang Guochun
为了开发高性能的自旋电子纳米器件，最紧迫和最具挑战性的任务之一是制备具有室温铁磁性和大的磁各向异性能量（MAE）的二维材料。通过第一性原理群体智能结构搜索计算，我们确定了一个理想的铁磁Fe 3 P单层，其中Fe原子表现出完美的Kagome晶格，导致强的面内Fe-Fe耦合。Fe 3 P的居里温度可达420 K，其MAE可与Fe和Fe 2Si等铁磁材料相媲美。此外，Fe 3 P单层仍然作为一个以上的室温铁磁体下的双轴应变高达10%。它的晶格可以在≤1000 K的温度下保持，表现出很高的热力学稳定性。所有这些理想的性能使Fe 3 P单层在自旋电子学纳米器件中的应用成为一个有前途的候选者。
For the development of high-performance spintronic nanodevices, one of the most urgent and challenging tasks is the preparation of two-dimensional materials with room-temperature ferromagnetism and a large magnetic anisotropic energy (MAE). Through first-principles swarm-intelligence structural search calculations, we identify an ideal ferromagnetic Fe3P monolayer, in which Fe atoms show a perfect Kagome lattice, leading to strong in-plane Fe–Fe coupling. The predicted Curie temperature of Fe3P reaches ∼420 K, and its MAE is comparable to those of ferromagnetic materials, such as Fe and Fe2Si. Moreover, the Fe3P monolayer remains as an above room-temperature ferromagnet under biaxial strains as large as 10%. Its lattice can be retained at temperatures of ≤1000 K, exhibiting a high thermodynamic stability. All of these desirable properties make the Fe3P monolayer a promising candidate for applications in spintronic nanodevices.