Table 2 Comparison between different models in the freestanding form: lattice constants (a and b), interlayer distance (d), binding energy (\(E_b\)) and number of interlayer bonds in a unit cell (\(n_b\)).
From: The effects of substrate and stacking in bilayer borophene
Model | a (Å) | b (Å) | d (Å) | \(E_b\) (eV/Å\(^2\)) | \(n_b\) |
|---|---|---|---|---|---|
AA | |||||
Relaxed | 5.14 | 2.98 | 2.45 | − 99.53 | 0 |
Preferred | 5.06 | 2.97 | 1.91 | − 106.52 | 1 |
AB | 5.03 | 2.97 | 2.00 | − 114.43 | 1 |
