Computational screening of Fe-Ta hard magnetic phases
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61989100%3A27640%2F20%3A10244884" target="_blank" >RIV/61989100:27640/20:10244884 - isvavai.cz</a>
Alternative codes found
RIV/61989100:27740/20:10244884
Result on the web
<a href="https://journals.aps.org/prb/abstract/10.1103/PhysRevB.101.014426" target="_blank" >https://journals.aps.org/prb/abstract/10.1103/PhysRevB.101.014426</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1103/PhysRevB.101.014426" target="_blank" >10.1103/PhysRevB.101.014426</a>
Alternative languages
Result language
angličtina
Original language name
Computational screening of Fe-Ta hard magnetic phases
Original language description
In this paper, we perform a systematic calculation of the Fe-Ta phase diagram to discover hard magnetic phases. By using structure prediction methods based on evolutionary algorithms, we identify two energetically stable magnetic structures: a tetragonal Fe3Ta (space group 122) and a cubic Fe5Ta (space group 216) binary phase. The tetragonal structure is estimated to have both high saturation magnetization (mu M-0(s) = 1.14 T) and magnetocrystalline anisotropy (K-1 = 2.17 MJ/m(3)) suitable for permanent magnet applications. The high-throughput screening of magnetocrystalline anisotropy also reveals two low-energy metastable hard magnetic phases: Fe5Ta2 (space group 156) and Fe6Ta (space group 194), that may exhibit intrinsic magnetic properties comparable to SmCo5 and Nd2Fe14B, respectively.
Czech name
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Czech description
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Classification
Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
10302 - Condensed matter physics (including formerly solid state physics, supercond.)
Result continuities
Project
Result was created during the realization of more than one project. More information in the Projects tab.
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)
Others
Publication year
2020
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Physical review B
ISSN
2469-9950
e-ISSN
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Volume of the periodical
101
Issue of the periodical within the volume
1
Country of publishing house
US - UNITED STATES
Number of pages
11
Pages from-to
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UT code for WoS article
000508448000004
EID of the result in the Scopus database
2-s2.0-85078731081