Table 1 Binding energies, geometries, supercell lattice constants, averaged bond lengths, sheet thicknesses, and buckling of superlattices
System | Eb(per Ge/Si) | Eb(per MoS2) | a = b | c | d Mo-S | dGe-Ge/dSi-Si | h S-S | Δ Ge | Δ Si |
---|---|---|---|---|---|---|---|---|---|
(eV) | (eV) | (Å) | (Å) | (Å) | (Å) | (Å) | (Å) | (Å) | |
Ger/MoS2 | 0.277 | 0.354 | 15.976 | 9.778 | 2.410 to 2.430 | 2.420 to 2.440 | 3.129 | 0.782 | |
Sil/MoS2 | 0.195 | 0.250 | 15.736 | 9.926 | 2.400 to 2.410 | 2.320 to 2.330 | 3.176 | 0.496 | |
Germanene | 16.052 | 2.422 | 0.706 | ||||||
Silicene | 15.388 | 2.270 | 0.468 | ||||||
MoS2 monolayer | 15.940 | 2.413 | 3.118 |