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Article: Structures and magnetic properties of iron silicide from adaptive genetic algorithm and first-principles calculations

TitleStructures and magnetic properties of iron silicide from adaptive genetic algorithm and first-principles calculations
Authors
Yang, ZejinWu, ShunqingZhao, XinNguyen, Manh CuongYu, ShuWen, TongqiTang, LingLi, FuxiangHo, Kai MingWang, Cai Zhuang
Issue Date2018
Citation
Journal of Applied Physics, 2018, v. 124, n. 7, article no. 073901 How to Cite?
DOI: http://dx.doi.org/10.1063/1.5036992
AbstractWe performed a systematic search for low-energy structures of binary iron silicide over a wide range of compositions using the crystal structure prediction method based on adaptive genetic algorithm. 36 structures with formation energies within 50 meV/atom (11 of them are within 20 meV) above the convex hull formed by experimentally known stable structures are predicted. Magnetic properties of these low-energy structures are investigated. Some of these structures can be promising candidates for rare-earth-free permanent magnet.
Persistent Identifierhttp://hdl.handle.net/10722/319047
ISSN
0021-8979
2021 Impact Factor: 2.877
2020 SCImago Journal Rankings: 0.699
ISI Accession Number ID
WOS:000442423800010

 

DC FieldValueLanguage
dc.contributor.authorYang, Zejin-
dc.contributor.authorWu, Shunqing-
dc.contributor.authorZhao, Xin-
dc.contributor.authorNguyen, Manh Cuong-
dc.contributor.authorYu, Shu-
dc.contributor.authorWen, Tongqi-
dc.contributor.authorTang, Ling-
dc.contributor.authorLi, Fuxiang-
dc.contributor.authorHo, Kai Ming-
dc.contributor.authorWang, Cai Zhuang-
dc.date.accessioned2022-10-11T12:25:09Z-
dc.date.available2022-10-11T12:25:09Z-
dc.date.issued2018-
dc.identifier.citationJournal of Applied Physics, 2018, v. 124, n. 7, article no. 073901-
dc.identifier.issn0021-8979-
dc.identifier.urihttp://hdl.handle.net/10722/319047-
dc.description.abstractWe performed a systematic search for low-energy structures of binary iron silicide over a wide range of compositions using the crystal structure prediction method based on adaptive genetic algorithm. 36 structures with formation energies within 50 meV/atom (11 of them are within 20 meV) above the convex hull formed by experimentally known stable structures are predicted. Magnetic properties of these low-energy structures are investigated. Some of these structures can be promising candidates for rare-earth-free permanent magnet.-
dc.languageeng-
dc.relation.ispartofJournal of Applied Physics-
dc.titleStructures and magnetic properties of iron silicide from adaptive genetic algorithm and first-principles calculations-
dc.typeArticle-
dc.description.naturelink_to_subscribed_fulltext-
dc.identifier.doi10.1063/1.5036992-
dc.identifier.scopuseid_2-s2.0-85051736301-
dc.identifier.volume124-
dc.identifier.issue7-
dc.identifier.spagearticle no. 073901-
dc.identifier.epagearticle no. 073901-
dc.identifier.eissn1089-7550-
dc.identifier.isiWOS:000442423800010-

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