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Abstract:
To search for proper alternatives to improve the magnetic properties of Nd2Fe14B, using first-principles density functional theory calculations we have systematically studied the R2M14B (R = lanthanides from La to Lu; M = Mn, Fe, Co, and Ni) compounds with the isomorphic structure of Nd2Fe14B. The results show that for rare-earth elements, Pr is the most suitable choice for considering as an alternative of Nd. As for the substitution of Fe in Nd2Fe14B by other transition-metal elements, Co is much more suitable than Mn and Ni because the latter two result in too significant reduction of the magnetic moment.
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CHINESE JOURNAL OF STRUCTURAL CHEMISTRY
ISSN: 0254-5861
CN: 35-1112/TQ
Year: 2021
Issue: 1
Volume: 40
Page: 136-144
0 . 8 4 7
JCR@2021
5 . 9 0 0
JCR@2023
ESI Discipline: CHEMISTRY;
ESI HC Threshold:117
JCR Journal Grade:4
CAS Journal Grade:3
Cited Count:
SCOPUS Cited Count:
ESI Highly Cited Papers on the List: 0 Unfold All
WanFang Cited Count:
Chinese Cited Count:
30 Days PV: 7
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