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

Alena Vishina; Olga Yu. Vekilova; Torbjörn Björkman; Anders Bergman; Heike C. Herper; Olle Eriksson

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

Alena Vishina
, Olga Yu. Vekilova
, Torbjörn Björkman
, Anders Bergman
, Heike C. Herper
, Olle Eriksson

Tutkimustuotos: Lehtiartikkeli › Artikkeli › Tieteellinen › vertaisarvioitu

50 Sitaatiot (Scopus)

239 Lataukset (Pure)

Abstrakti

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/data-filtering 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.

Alkuperäiskieli	Englanti
Artikkeli	094407
Sivut	–
Julkaisu	Physical Review B
Vuosikerta	101
Numero	9
Tila	Julkaistu - 1 maalisk. 2020
OKM-julkaisutyyppi	A1 Julkaistu artikkeli, soviteltu

Rahoitus

The authors would like to acknowledge the support of the Swedish Foundation for Strategic Research, the Swedish Energy Agency, the Swedish Research Council, The Knut and Alice Wallenberg Foundation, eSSENCE, STandUPP and the CSC IT Centre for Science, and the Swedish National Infrastructure for Computing (SNIC) for the computation resources.

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PhysRevB.101.094407.pdfLopullinen julkaistu versio, 1,41 MBLisenssi: CC BY

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abstract = "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/data-filtering 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.",

author = "Alena Vishina and Vekilova, \{Olga Yu.\} and Torbj{\"o}rn Bj{\"o}rkman and Anders Bergman and Herper, \{Heike C.\} and Olle Eriksson",

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AU - Vishina, Alena

AU - Vekilova, Olga Yu.

AU - Björkman, Torbjörn

AU - Bergman, Anders

AU - Herper, Heike C.

AU - Eriksson, Olle

N1 - Published by the American Physical Society under the terms of the Creative Commons Attribution 4.0 International license. Further distribution of this work must maintain attribution to the author(s) and the published article's title, journal citation, and DOI. Funded by Bibsam.

PY - 2020/3/1

Y1 - 2020/3/1

N2 - 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/data-filtering 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.

AB - 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/data-filtering 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.

M3 - Article

SN - 2469-9950

VL - 101

SP - –

JO - Physical Review B

JF - Physical Review B

IS - 9

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ER -

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

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