Extended Data Fig. 5: Numerical simulations on the sAET reconstruction of a MoSe2-WSe2 heterostructure with moiré patterns. | Nature Materials

Extended Data Fig. 5: Numerical simulations on the sAET reconstruction of a MoSe2-WSe2 heterostructure with moiré patterns.

From: Correlating the three-dimensional atomic defects and electronic properties of two-dimensional transition metal dichalcogenides

Extended Data Fig. 5

a, Top view of the 3D reconstruction of double-layered heterostructure from 15 multislice projections with a double tilt range from −25° to +25°. b, Top view of 3D atomic model obtained from (a), where a 5˚ rotational mismatch between the top and bottom layers is visible. c, 6 atomic layers of the 3D reconstruction in the square region in (a), where atomic defects in each layer are labelled as blue circles. d, 6 atomic layers of the 3D model in the square region in (b), where traced defects are shown as red circles. The RMSD between the sAET reconstruction and the original atomic model is 8 pm, 5 pm and 13 pm for Mo, W and Se atoms, respectively.

Back to article page