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] | [MJ/m3] | [MJ/m3] | / | [T] | [T] | / |
---|---|---|---|---|---|---|---|---|
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.