Atomic Structure and Magnetic Properties of HfCo7 Alloy

TitleAtomic Structure and Magnetic Properties of HfCo7 Alloy
Publication TypeJournal Article
Year of Publication2013
AuthorsNguyen MC, Ke LQ, Zhao X, Antropov V, Wang CZ, Ho KM
Journal TitleIEEE Transactions on Magnetics
Date Published07
Type of ArticleArticle
ISBN Number0018-9464
Accession NumberWOS:000322483200053
Keywordsab-initio data, augmented-wave method, brillouin-zone integrations, co, effective potentials, genetic algorithm, HfCo Alloy, magnetic anisotropy, materials, Permanent Magnet

Co rich Hf-Co alloys demonstrate promising properties as potential permanent magnet systems. However their structure has not been well established by experiment. We performed a search for low-energy structures of the HfCo7 system with recently developed adaptive genetic algorithm. Among the low-energy structures with 16 and 32 atoms per unit cell, we found structural motifs similar to the permanent magnet SmCo5. For the unit cell size larger than 40 atoms, we found a phase separation into pure hcp Co and Hf2Co7 in agreement with the experiment. Calculated magnetization and temperature of magnetic phase transition are similar to those for hcp Co. Overall considered HfCo7 system represents a mix of in- and out-of-plane magnetic anisotropies systems with possible site dependence of magnetic anisotropy.

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