High-throughput and data-mining approach to predict new rare-earth free permanent magnets

Article

关键词: MAGNETOCRYSTALLINE ANISOTROPY ENERGY;    INITIO MOLECULAR-DYNAMICS;    ELECTRONIC-STRUCTURE;    CRYSTAL-STRUCTURE;    TEMPERATURE;    ALLOYS;    TRANSITION;    NANOPARTICLES;    COMPOUND;    COBALT;   

DOI  :  10.1103/PhysRevB.101.094407

来源: SCIE

【 摘 要 】

We present an application of a high-throughput search of new rare-earth free permanent magnets focusing on 3d-5d transition metal compounds. The search involved a part of the Inorganic Crystal Structure Database, together with tailored search criteria and electronic structure calculations of magnetic properties. Our results suggest that it is possible to find candidates for rare-earth free permanent magnets using a data-mining/datafiltering approach. The most promising candidates identified here are Pt2FeNi, Pt2FeCu, and W2FeB2. We suggest these materials to be a good platform for further investigations in the search of novel rare-earth free permanent magnets.

【 授权许可】

Free