Extended Data Fig. 5: Theoretical calculations.
From: Realization of 2D metals at the ångström thickness limit
a. Formation enthalpies ∆H of the selected configurations. The magnitude of the energy above hull is represented by colour, as indicated by the colour bar. b,c, The schematic diagrams of heterojunctions composed of α-Bi(110) (b) and β-Bi(111) (c). Both the formation enthalpies ∆H and the energy above convex hull for MoS2/α-Bi/MoS2 are lower than those for MoS2/β-Bi/MoS2, indicating that the α phase structure is more energy favourable and thus the ground state phase. In addition, the interlayer spacing between α-Bi and MoS2 is ~3.1 Å, which signifies the vdW stacking.
