Applying high-throughput computational techniques for discovering next-generation of permanent magnets

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• 作者：P. Nieves ; S. Arapan ; G. C. Hadjipanayis ; D. Niarchos ; J. M. Barandiaran and S. Cuesta-Ló ; pez
• 刊名：physica status solidi (c)
• 出版年：2016
• 出版时间：December 2016
• 年：2016
• 卷：13
• 期：10-12
• 页码：942-950
• 全文大小：959K
• ISSN：1610-1642a

文摘

The uncertainty in rare-earth market resulted in worldwide efforts to develop rare-earth-lean/free permanent magnets. In this paper, we discuss about this problem and analyse how advances in computational and theoretical condensed matter physics could be essential in the development of a new generation of high-performance permanent magnets via high-throughput computational technique for material design. Additionally, we show that an adaptive genetic algorithm based methodology could be a useful tool for finding new magnetic phases. In particular, we apply such approach to Fe_0.75Sn_0.25 compound recovering well-known experimental results and also finding new low-energy magnetic metastable structures. (