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. 2016 Apr 21;6:24686. doi: 10.1038/srep24686

Table 2. Comparison of the magnetization, the anisotropy constant K1 and the anisotropy field Ha calculated with TB-LMTO-ASA with experimental data taken from aref. 19 (Table 11.1), bref. 22, cref. 42, dref. 6 (no bulk but films of thickness up to 360 nm) and eref. 21.

System μ0Mexp [T] μ0MASA [T] Inline graphic [MJ/m3] Inline graphic [MJ/m3] Inline graphic/Inline graphic Inline graphic [T] Inline graphic [T] Inline graphic/Inline graphic
SmCo5 1.07a 1.04 17.2a 69 (26) 25% 40.4a 166 25%
Sm2Co17 1.25a 1.22 4.2a 25 (11) 17% 8.4a 53 16%
Y2Co17 1.26a 1.17 −0.34a 0 (0)   −0.7a 0  
Sm2Fe17N3 1.54a 1.69 8.6a 27 (25) 32% 14.0a 40 35%
Ce2Fe14B 1.44b 1.75 1.5b 54 (14) 2.8% 2.6b 76 3.4%
Nd2Fe14B 1.86b 1.87 4.9a 19 (6) 26% 6.6a 7.3 26 25%a
Nd2Fe14C 1.61b 1.85 4c 24 (7) 17% 6.3c 32 20%
Sm2Fe14B 1.65b 1.62 ≤ −13a −31 (−10) 42% ≥15b −47 32%
NdFe12N 1.66d 2.06 5.3d 47 (28) 11% 8d 57 14%
NdFe11Ti 1.70e 1.65 1.35 4 (2) 31% 2.0e 7 28%
CeFe11Ti 1.55e 1.57 1.4e 11 (4) 13% 2.3e 18 13%

The experimental values for K1 and Ha in columns 3 and 5 are given for room-temperature. Experimental magnetization values are given for T ≈ 4K. The calculated K1 values in brackets are determined with a cut-off radius rc = 1.005 Å as in ref. 8.