Evolutionary search for cobalt-rich compounds in the yttrium-cobalt-boron system
arXiv:2102.02097 · doi:10.1103/PhysRevMaterials.5.054408
Abstract
Modern high-performance permanent magnets are made from alloys of rare earth and transition metal elements, and large magnetization is achieved in the alloys with high concentration of transition metals. We applied evolutionary search scheme based on first-principles calculations to the Y-Co-B system and predicted 37 cobalt-rich compounds with high probability of being stable. Focusing on remarkably cobalt-rich compounds, YCo and YCo, we found that, although they are metastable phases, the phase stability is increased with increase of temperature due to the contribution of vibrational entropy. The magnetization and Curie temperature are higher by 0.22 T and 204 K in YCo and by 0.29 T and 204 K in YCo than those of YCo which has been well studied as strong magnetic compounds.
arXiv comment5 pages, 4 figures
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