Electronic structures and magnetic properties of the rare-earth-free permanent magnet α′′-Fe 16 N 2 : first-principles calculations

作者：Peirun Duan, Qingming Ping, Douqiang Sun, Qiang Luo, Haojie Li, Haoyu Xu, Xian Liu, Xiaohui Shi, Lulu Du · 发表于：Journal of Materials Chemistry C · 年份：2025 · DOI：10.1039/d4tc04934a · 被引用次数：7 · 研究领域：Magnetic Properties of Alloys、Hydrogen Storage and Materials、Magnetic and transport properties of perovskites and related materials

α′′-Fe 16 N 2 exhibits perpendicular magnetic anisotropy with a magnetocrystalline anisotropy energy of −0.66 J cm −3 and a high Curie temperature of 1369 K, making it a potential candidate material as a rare-earth-free permanent magnet.