Table 1 The calculated magnetic parameters of lattice constants a, NN, and NNN exchange coupling J1 and J2, magnetic anisotropy energy K and magnetic moment μM of M atom, and magnetic characteristic parameter R in MCuX2 family.
Family | a(Å) | J1 (meV) | J2 (meV) | K (meV) | μM (μB) | R (nm) |
|---|---|---|---|---|---|---|
VCuS2 | 3.994 | 24.852 | 1.017 | 0.035 | 2.052 | 22.034 |
VCuSe2 | 4.105 | 28.666 | 1.278 | 0.025 | 2.143 | 31.356 |
VCuTe2 | 4.133 | 27.366 | −2.218 | −4.620 | 2.252 | -- |
CrCuS2 | 4.083 | 100.108 | −11.574 | 0.316 | 3.381 | -- |
CrCuSe2 | 4.188 | 104.129 | −10.620 | 0.280 | 3.525 | -- |
CrCuTe2 | 4.325 | 101.504 | −4.675 | 0.708 | 3.670 | -- |
MnCuS2 | 4.044 | 35.842 | −1.838 | 0.185 | 4.183 | -- |
MnCuSe2 | 4.119 | 54.848 | −5.741 | 0.131 | 4.249 | 17.14 |
MnCuTe2 | 4.100 | 21.805 | −5.430 | −5.910 | 4.268 | 4.000 |
FeCuS2 | 3.881 | −89.103 | 2.020 | −0.198 | 3.562 | -- |
FeCuSe2 | 3.946 | −77.876 | 9.775 | −0.088 | 3.545 | 14.583 |
FeCuTe2 | 4.025 | −50.894 | 10.96 | −2.064 | 3.437 | -- |
CoCuS2 | 3.832 | −54.460 | 3.538 | −1.162 | 2.363 | 15.333 |
CoCuSe2 | 3.957 | −39.310 | 8.996 | 0.435 | 2.346 | 19.231 |
CoCuTe2 | 4.060(x) | 9.177 | −7.802 | 1.977 | 2.151 | |
3.610(y) | ||||||
NiCuS2 | 3.868 | −17.366 | 2.164 | −0.266 | 0.996 | -- |
NiCuSe2 | 3.877 | −15.516 | 0.141 | −0.241 | 0.968 | 17.797 |
NiCuTe2 | 3.633 | −0.175 | 0.174 | −0.559 | 0.260 | -- |
