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) |