Table 8. DFT studies of the mechanical properties of 2D magnets.
| monolayer magnets | 2D Young’s modulus (N/m) | theoretical thickness (Å) | Young’s modulus (GPa) | fracture strength (N/m) | Poisson’s ratio | cleavage energy (J/m2) | ref |
|---|---|---|---|---|---|---|---|
| FePS3 | 65.98–119.7 | 6.42 | 102.8–186.4 | 0.304 | 0.265 | (1, 661, 662) | |
| FePSe3 | 67.9–90.2 | 6.61 | 102.7–136.5 | 0.312 | 0.37 | (1, 661, 662) | |
| MnPS3 | 55.1–107.7 | 6.49 | 84.9–165.9 | 0.327 | 0.26 | (1, 661, 662) | |
| MnPSe3 | 36–60.8 | 6.67 | 54.0–91.2 | 0.35 | 0.23–0.24 | (1, 661−663) | |
| NiPS3 | 80.9–106.8 | 6.34 | 127.6–168.5 | 0.265 | 0.21 | (1, 661, 662) | |
| NiPSe3 | 78.8 | ∼6.52 | 120.9 | 0.275 | (661) | ||
| CrSnTe3 | 64.8 | 0.283 | (664) | ||||
| CrSiTe3 | 40.8 | 6.86 | 59.5 | 0.35 | (663) | ||
| CrGeTe3 | 38.3 | 6.9 | 55.5 | 0.38 | (663) | ||
| K2CuF4 | 44.8 | 0.78 | (665) | ||||
| CrOCl | 38.39–46.83 | 0.208 | (666, 667) | ||||
| CrI3 | 22–28 | 6.62 | 33.2–42.3 | 2.3–3.6 (2L) | 0.253 | 0.155–0.28 | (234, 237, 657−659) |
| CrBr3 | 28–29.3 | 6.11 | 45.8–48.0 | 0.278 | 0.19–0.295 | (234, 658) | |
| CrCl3 | 31–34 | 5.80–6.10 | 53.4–55.7 | 3.9–4.9 (2L) | 0.297 | 0.13–0.3 | (234, 658, 659) |
| FeSe | 66.2–119.8 | 5.31–5.61 | 124.7–213.5 | 0.179–0.196 | (657, 668, 669) | ||
| Fe3GeTe2 | 134 (C11) | ∼0.01 | (330) | ||||
| VS2 | 85 | 5.71 | 148.9 | 12 (zz) | 0.16 | (660) | |
| VSe2 | 53.8–71 | 6.1–7.0 | 88.2–101.4 | 9.8(zz) | 0.18–0.229 5 | (660, 670) | |
| CrTe3 | 48–52 | 6.94 | 69.2–99.7 | 0.5 | (671, 672) | ||
| Mn3Se4 | 18.76–25.97 | 0.371 | 0.58 | (673) | |||
| Mn3Te4 | 22.6–29.42 | 0.293 | 0.53 | (673) | |||
| Fe2Si | 71 | 5.7 | 124.65 | (674) | |||
| CoAsS | 75.51 | 0.076 | (675) | ||||
| NiI2 | 45 | 6.54 | 68.8 | 0.26 | (676) | ||
| NiBr2 | 50 | 6.09 | 82.1 | 0.242 | (676) | ||
| NiCl2 | 54 | 5.8 | 93.1 | 0.223 | (676) | ||
| CrPbTe3 | 46.9 | 0.318 | (677) | ||||
| CrPS4 | 36.8–56.4 | 6.2 | 59.4–91.0 | 0.28–0.44 | (678, 679) |