Table 1 Calculated total energy Difference (in meV) and interlayer distances (in Å) in each configuration
From: Metal free half metallicity in 2D system: structural and magnetic properties of g-C4N3 on BN
structure | (a) | (b) | (c) | (d) | (e) | (f) |
|---|---|---|---|---|---|---|
FM | 0 | 65 | 139 | 161 | 282 | 324 |
AFM | 177 | 258 | 352 | 351 | 570 | 551 |
interlayer distance | 3.18 | 3.25 | 3.28 | 3.31 | 3.39 | 3.44 |
