Table 2 Calculated binding energy (Eb) between interlayers for few-layer MXs and interlayer distance (d). The exchange-correlation functional is treated using LDA and strongly constrained and appropriately normed (SCAN) meta-generalized gradient approximation (meta-GGA).

From: Raman Spectra Shift of Few-Layer IV-VI 2D Materials

Functionals

# of layers

SnS

SnSe

GeS

GeSe

LDA

2

Eb = 0.50 eV

0.50 eV

0.49 eV

0.38 eV

d = 2.64 Å

2.79 Å

2.49 Å

2.80 Å

3

Eb = 0.46 eV

0.51 eV

0.49 eV

0.39 eV

d = 2.64 Å

2.71 Å

2.46 Å

2.58 Å

Meta-GGA

2

Eb = 0.26 eV

0.26 eV

0.28 eV

0.28 eV

d = 2.97 Å

3.15 Å

2.73 Å

3.04 Å

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