Fig. 2: Slip and cleavage of typical hexagonal-structured vdW materials. | npj Computational Materials

Fig. 2: Slip and cleavage of typical hexagonal-structured vdW materials.

From: Understanding the deformability of 2D van der Waals materials from the perspective of chemical bonds

Fig. 2: Slip and cleavage of typical hexagonal-structured vdW materials.

a Crystal structure of GaS; the red plane represents the interlayer slip plane. b GSFE mapping of interlayer slip ((001) plane) for GaS; the black dots represent intermediate steps of slipping, and the red dash arrows depict the slip path with the lowest energy barrier. c Interlayer cleavage energies (orange) and slip energy barriers (green) for typical 2D vdW materials. d Cross-layer slip for GaS; the blue plane represents the slip plane. e GSFE curves of cross-layer slip for IIIA-VIA group compounds; u/b is the ratio of slip distance to the Burgers vector; dash lines represent cross-layer cleavage energies of materials with corresponding colors. f Cross-layer cleavage energies and slip energy barriers for 2D vdW materials.

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