Table 1 Fully relaxed lattice parameters for MoS2/WSe2 superlattices. and represent the number of bilayers in each superlattice for MoS2 and WSe2, respectively

From: Continuously tunable electronic structure of transition metal dichalcogenides superlattices

a/c PBE-D2 (vdW-DF) (Å)

a/c PBE-D2 (vdW-DF) (Å)

1:1

3.248/25.422 (3.233/25.501)

1:1

3.248/25.422 (3.233/25.501)

1:2

3.271/38.478 (3.255/38.618)

2:1

3.229/37.919 (3.210/37.905)

1:3

3.281/51.483 (3.266/51.754)

3:1

3.220/50.326 (3.200/50.280)

1:4

3.290/64.655 (3.272/64.870)

4:1

3.219/62.477 (3.194/62.103)

1:5

3.294/77.600 (3.276/77.990)

5:1

3.214/74.932 (3.189/74.977)