Table 1 Comparison between the calculated interlayer binding energy (Ebind = (2Emonolayer − Ebilayer)/A, in meV/Å2) and interlayer separation d (in Å) of MoSi2N4 with a few selected layered materials using the PBE functional with the DFT-D3 correction.

From: Prediction of protected band edge states and dielectric tunable quasiparticle and excitonic properties of monolayer MoSi2N4

 

MoSi2N4

MoS2

WS2

Black phosphorus

C3N

C3B

Binding Energy

43.8

39.2

41.9

33.3

30.2

27.7

Bilayer d

2.825

2.944

3.012

3.182

3.202

3.206

Bulk d

Theory

2.807

2.921

2.951

3.194

3.187

3.097

Exp.

–

2.975

3.019

3.101

–

–

  1. Experimental results for MoS2, WS2, and black phosphorus are taken from refs. 40,41,42, respectively.
Back to article page