Table 1 The optimized lattice constants a, magnetic moments of Cr, Mn and V, and the calculated parameters of exchange coupling J, K and DMI
Material | a(Å) | μ(μB) | J(MeV) | D(MeV) | K(MeV) |
|---|---|---|---|---|---|
CrSTe | 3.47(3.47) | 3.20(3.13) | 26.14(24.00) | 0.61(0.45) | 0.30 |
CrSeTe | 3.56(3.56) | 3.28(3.20) | 18.72(15.11) | 2.20(2.01) | 0.09 |
MnSSe | 3.54(3.50) | 3.67(3.42) | 17.77(15.60) | −0.29(−0.39) | 0.14 |
MnSTe | 3.60(3.60) | 3.68(3.64) | 10.64(10.52) | 2.54(2.63) | 0.26 |
MnSeTe | 3.69(3.68) | 3.71(3.68) | 14.08(13.26) | 2.91(2.21) | 0.65 |
VSSe | 3.27(3.26) | 1.15(1.12) | 27.71 | 0.50(0.49) | 0.44 |
VSeTe | 3.49(3.49) | 1.26(1.18) | 29.07 | −0.27(−0.33) | 1.53 |