Fig. 2: Database results for a particular bilayer. | npj Computational Materials

Fig. 2: Database results for a particular bilayer.

From: A high-throughput framework and database for twisted 2D van der Waals bilayers

Fig. 2

a-c Results of structural optimization, including interlayer separation and lateral displacement. d, e Band structures resolved by material, showing the bands (solid black line) and contributions from Graphene (blue dots) and Jacutingaite (red dots). f-i Orbital-resolved bands and projected Density of States. j-l Spin-resolved bands for the x, y, and z components of spin, distinguishing between spin up (red dots) and spin down (blue dots). m, o Work function alignment between the layers. n, o Net charge transfer from jacutingaite to graphene.

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