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Tunable Mosaic Structures in van der Waals Layered Materials

Abstract

The intrinsic mosaic structures composed of distinctive stacking domains separated by domain walls (DWs) are showing the potential to regulate many outstanding properties of van der Waals layered materials. A comprehensive simulation at the atomic scale is performed to explore how the lattice/twist mismatch and the interlayer interaction influence the mosaic configuration from incommensurate Moiré pattern to commensurate mosaic structures by adapting a complex amplitude version of the phase field crystal method. It is found that after an incommensurate-commensurate transition occurs, the topology of the mosaic structure indicated by different domain wall (DW) patterns can be drastically changed. The experimentally observed intriguing spiral domain wall (SDW) network is revealed as result of the emergent mixed dislocation driven by minimizing the elastic and interlayer energies in the presence of both lattice and twist mismatches. The transition process from herringbone domain wall (HBDW) network to SDW network is also simulated, elucidated by dislocation reaction and in good agreement with the experimental observations.

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Publication details

The article was received on 10 Jul 2018, accepted on 10 Sep 2018 and first published on 10 Sep 2018


Article type: Paper
DOI: 10.1039/C8CP04360D
Citation: Phys. Chem. Chem. Phys., 2018, Accepted Manuscript
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    Tunable Mosaic Structures in van der Waals Layered Materials

    S. Quan, L. He and Y. Ni, Phys. Chem. Chem. Phys., 2018, Accepted Manuscript , DOI: 10.1039/C8CP04360D

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