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

Forskningsoutput: Tidskriftsbidrag › Artikel › Vetenskaplig › Peer review

44 Citeringar (Scopus)

114 Nedladdningar (Pure)

Sammanfattning

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.

Originalspråk	Engelska
Artikelnummer	094407
Sidor (från-till)	–
Tidskrift	Physical Review B
Volym	101
Nummer	9
Status	Publicerad - 1 mars 2020
MoE-publikationstyp	A1 Tidskriftsartikel-refererad

Finansiering

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.

Åtkomst av dokument

PhysRevB.101.094407.pdfSlutlig publicerad version, 1,41 MBLicens: CC BY

Citera det här

@article{d92d49ac224e44ad9a29f2bbed7e5871,

title = "High-throughput and data-mining approach to predict new rare-earth free permanent magnets",

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",

note = "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.",

year = "2020",

month = mar,

day = "1",

language = "English",

volume = "101",

pages = "–",

journal = "Physical Review B",

issn = "2469-9950",

publisher = "American physical society",

number = "9",

}

TY - JOUR

T1 - High-throughput and data-mining approach to predict new rare-earth free permanent magnets

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

M1 - 094407

ER -

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

Sammanfattning

Finansiering

Åtkomst av dokument

Fingeravtryck

Citera det här