Fig. 6: The structural and strain analysis of twin structures by lattice reconstructions in 1L-ReS2.
From: Mechanical origin of martensite-like structures in two-dimensional ReS2
a The original (pristine) lattice relaxed by DFT calculations. Specific vectors are defined for low-index crystal orientations (<100> and <110> directions), and only Re atoms shown. b The lattice in mirror symmetry to a. Lattice in b can be considered as after reconstruction from a. c–e, i–k Scheme of the twinning domain boundaries (zigzag lines) along different low-index orientations. Lattice orientations for two opposite sides of twin boundaries are shown by arrows. f–h, l–n The shear angle of labeled crystal directions and the normal strain (only f–h, normal strain for l–n is zero) for reconstructed lattices compared to pristine lattices, corresponding to the six types of twin boundaries above (c–e, i–k), respectively. o, p The domain types resulted from corresponding lattice reconstructions. Panel o corresponds to c–e type twin boundaries, while panel p corresponds to i–k type twin boundaries.
