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 dMo-S dGe-Ge/dSi-Si hS-S ΔGe ΔSi
(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

Theoretical geometries of the isolated germanene, silicene, and MoS2 monolayer are also listed. Eb, binding energies (per Ge/Si atom and per MoS2); a, b, and c, supercell lattice constants; dMo-S, dGe-Ge, and dSi-Si, averaged Mo-S and Ge-Ge/Si-Si bond lengths; hS-S, sheet thicknesses of MoS2; ΔGe and ΔSi, amplitude of buckling of the germanene and silicene in the superlattices.

Li et al.

Li et al. Nanoscale Research Letters 2014 9:110   doi:10.1186/1556-276X-9-110

Open Data