期刊
PHYSICAL REVIEW LETTERS
卷 120, 期 9, 页码 -出版社
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevLett.120.097202
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资金
- UK Engineering and Physical Sciences Research Council (EPSRC) [EP/M028941/1]
- EPSRC [EP/M028771/1]
- Scientific Computing Department of STFC
- Engineering and Physical Sciences Research Council [EP/M028771/1, EP/M028941/1] Funding Source: researchfish
- EPSRC [EP/M028941/1] Funding Source: UKRI
Magnetocrystalline anisotropy, the microscopic origin of permanent magnetism, is often explained in terms of ferromagnets. However, the best performing permanent magnets based on rare earths and transition metals (RE-TM) are in fact ferrimagnets, consisting of a number of magnetic sublattices. Here we show how a naive calculation of the magnetocrystalline anisotropy of the classic RE-TM ferrimagnet GdCo5 gives numbers that are too large at 0 K and exhibit the wrong temperature dependence. We solve this problem by introducing a first-principles approach to calculate temperature-dependent magnetization versus field (FPMVB) curves, mirroring the experiments actually used to determine the anisotropy. We pair our calculations with measurements on a recently grown single crystal of GdCo 5, and find excellent agreement. The FPMVB approach demonstrates a new level of sophistication in the use of first-principles calculations to understand RE-TM magnets.
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