Table 3.
Stabilities of MBenes
| MBenes | Stabilities of MBenes | |||||
|---|---|---|---|---|---|---|
| a (Å) | b (Å) | ΔEhull (eV/atom) | E/atom (eV) | C2D (N m−1) | h/l (10–4) | |
| CrB | 2.86952 | 2.93991 | 1.09 | − 7.95679 | 251.23 | 1.24 |
| MnB | 2.86378 | 2.90075 | 0.87 | − 7.79661 | 215.30 | 1.34 |
| FeB | 2.81997 | 2.78483 | 0.79 | − 7.38663 | 198.60 | 1.41 |
| ZrB | 3.06595 | 3.25166 | 0.68 | − 8.11756 | 191.26 | 1.52 |
| MoB | 3.02255 | 3.03284 | 1.18 | − 8.66739 | 233.68 | 1.48 |
| HfB | 3.05277 | 3.20715 | 0.77 | − 8.68925 | 237.84 | 1.74 |
| WB | 3.02418 | 3.02115 | 1.30 | − 9.398 | 239.41 | 1.80 |
| FeB2 | 3.14451 | 2.99459 | 0.83 | − 6.99438 | 143.76 | 1.56 |
| RuB2 | 3.46777 | 3.04861 | 0.76 | − 7.43697 | 181.82 | 1.61 |
| OsB2 | 3.50288 | 3.0146 | 0.80 | − 7.9858 | 218.63 | 1.81 |
| Mo2B | 2.84587 | 2.84587 | 1.29 | − 9.15321 | 216.94 | 1.63 |
| Au2B | 3.00307 | 2.99245 | 0.93 | − 3.94874 | 85.52 | 2.70 |
| Nb5B2 | 5.91928 | 5.91926 | 0.88 | − 9.25488 | 208.04 | 1.63 |
| V3B4 | 2.92227 | 2.99264 | 0.72 | − 8.26231 | 395.05 | 1.23 |
| Nb3B4 | 3.03301 | 3.18588 | 0.70 | − 8.80826 | 314.89 | 1.51 |
| Ta3B4 | 3.01463 | 3.18065 | 0.77 | − 9.36285 | 341.17 | 1.80 |