Table 1 Spin polarization energy Espin, electronegativity difference Δχ, magnetic anisotropic energy MAE, nearest-neighbor exchange interaction parameter J1, next-nearest-neighbor exchange interaction parameter J2, and Curie temperature Tc at hole doping density of 6 × 1014 cm−2 for the P3m1-halides.
Espin (meV) | Δχ | MAE (μeV) | J1 (meV) | J2 (meV) | Tc (K) | |
|---|---|---|---|---|---|---|
BeF2 | 120 | 1.94 | −9 | 21.440 | −3.343 | 26 |
MgF2 | 152 | 2.67 | −15 | 28.624 | −3.931) | 63 |
MgCl2 | 101 | 1.85 | −163 | 34.845 | 3.081 | 224 |
CaF2 | 184 | 2.98 | −62 | 23.212 | −1.996 | 70 |
CaCl2 | 80 | 2.16 | −11 | 36.036 | −5.636 | 49 |
CaBr2 | 40 | 1.96 | −613 | 27.296 | −1.552 | 104 |
CaI2 | 14 | 1.66 | −620 | 5.415 | 0.663 | 42 |
SrF2 | 195 | 3.03 | −125 | 16.900 | −0.740 | 63 |
SrCl2 | 118 | 2.21 | −295 | 32.319 | −4.562 | 83 |
SrBr2 | 71 | 2.01 | 126 | 38.474 | −2.717 | 126 |
SrI2 | 35 | 1.71 | −1956 | 9.024 | 3.092 | 107 |
BaF2 | 96 | 3.09 | 946 | 38.685 | 7.868 | 337 |
BaCl2 | 167 | 2.27 | 195 | 20.222 | −0.710 | 90 |
BaBr2 | 110 | 2.07 | 320 | 32.384 | 1.431 | 181 |
BaI2 | 73 | 1.77 | −1776 | 11.161 | 5.215 | 162 |
ZnF2 | 76 | 2.33 | 314 | 14.890 | 4.560 | 155 |
ZnCl2 | 65 | 1.51 | −314 | 20.431 | 2.748 | 161 |
ZnBr2 | 42 | 1.31 | −3800 | 13.446 | 5.452 | 179 |
CdF2 | 107 | 2.29 | 816 | 29.730 | 9.200 | 320 |
CdCl2 | 114 | 1.47 | −171 | 31.241 | 0.785 | 162 |
CdBr2 | 78 | 1.27 | −5005 | 20.870 | 3.980 | 190 |
CdI2 | 37 | 0.97 | −7917 | 8.155 | 4.530 | 141 |
HgF2 | 71 | 1.98 | −1316 | 23.307 | 12.027 | 333 |
HgCl2 | 84 | 1.16 | 366 | 30.671 | 6.515 | 270 |
HgBr2 | 77 | 0.96 | −3391 | 27.471 | 6.280 | 264 |
HgI2 | 52 | 0.66 | −7939 | 12.72 | 5.672 | 185 |
PbCl2 | 53 | 0.83 | 0 | 27.041 | 14.43 | 394 |
PbBr2 | 23 | 0.63 | −1013 | 18.215 | 11.75 | 301 |