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Ferroelasticity and domain physics in two-dimensional transition metal dichalcogenide monolayers

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  • Wenbin Li

    (Research Laboratory of Electronics, Massachusetts Institute of Technology)

  • Ju Li

    (Massachusetts Institute of Technology)

Abstract

Monolayers of transition metal dichalcogenides can exist in several structural polymorphs, including 2H, 1T and 1T′. The low-symmetry 1T′ phase has three orientation variants, resulting from the three equivalent directions of Peierls distortion in the parental 1T phase. Using first-principles calculations, we predict that mechanical strain can switch the relative thermodynamic stability between the orientation variants of the 1T′ phase. We find that such strain-induced variant switching only requires a few percent elastic strain, which is eminently achievable experimentally with transition metal dichalcogenide monolayers. Calculations indicate that the transformation barrier associated with such variant switching is small (

Suggested Citation

  • Wenbin Li & Ju Li, 2016. "Ferroelasticity and domain physics in two-dimensional transition metal dichalcogenide monolayers," Nature Communications, Nature, vol. 7(1), pages 1-8, April.
    • Handle: RePEc:nat:natcom:v:7:y:2016:i:1:d:10.1038_ncomms10843
    DOI: 10.1038/ncomms10843
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