Quantum Theory of Rare-Earth Magnets

Strong permanent magnets mainly consist of rare earths (R) and transition metals (T). The main phase of the neodymium magnet, which is the strongest magnet, is Nd2Fe14B. Sm2Fe17N3 is another magnet compound having excellent magnetic properties comparable to those of Nd2Fe14B. Their large saturation magnetization, strong magnetocrystalline anisotropy, and high Curie temperature originate from the interaction between the T-3d electrons and R-4f electrons. This article discusses the magnetism of rare-earth magnet compounds. The basic theory and first-principles calculation approaches for quantitative description of the magnetic properties are presented, together with applications to typical compounds such as Nd2Fe14B, Sm2Fe17N3, and the recently synthesized NdFe12N.