Mechanical responses of two-dimensional MoTe2; pristine 2H, 1T and 1T′ and 1T′/2H heterostructure

Research output: Contribution to journal › Article › Research › peer review

Authors

  • Bohayra Mortazavi
  • Golibjon R. Berdiyorov
  • Meysam Makaremi
  • Timon Rabczuk

External Research Organisations

  • Bauhaus-Universität Weimar
  • Qatar Environment and Energy Research Institute
  • University of Toronto
  • Tongji University
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Details

Original languageEnglish
Pages (from-to)65-72
Number of pages8
JournalExtreme Mechanics Letters
Volume20
Early online date31 Jan 2018
Publication statusPublished - Apr 2018
Externally publishedYes

Abstract

Transition metal dichalcogenides (TMD) are currently among the most interesting two-dimensional (2D) materials due to their outstanding properties. MoTe2 involves attractive polymorphic TMD crystals which can exist in three different 2D atomic lattices of 2H, 1T and 1T′, with diverse properties, like semiconducting and metallic electronic characters. Using the polymorphic heteroepitaxy, most recently coplanar semiconductor/metal (2H/1T′) few-layer MoTe2 heterostructures were experimentally synthesized, highly promising to build circuit components for next generation nanoelectronics. Motivated by the recent experimental advances, we conducted first-principles calculations to explore the mechanical properties of single-layer MoTe2 structures. We first studied the mechanical responses of pristine and single-layer 2H-, 1T- and 1T′-MoTe2. In these cases we particularly analyzed the possibility of engineering of the electronic properties of these attractive 2D structures using the biaxial or uniaxial tensile loadings. Finally, the mechanical-failure responses of 1T′/2H-MoTe2 heterostructure were explored, which confirms the remarkable strength of this novel 2D system.

Keywords

    2D materials, First-principles modeling, Heterostructure, Mechanical, MoTe

ASJC Scopus subject areas

Cite this

Mechanical responses of two-dimensional MoTe2; pristine 2H, 1T and 1T′ and 1T′/2H heterostructure. / Mortazavi, Bohayra; Berdiyorov, Golibjon R.; Makaremi, Meysam et al.
In: Extreme Mechanics Letters, Vol. 20, 04.2018, p. 65-72.

Research output: Contribution to journal › Article › Research › peer review

Mortazavi, B, Berdiyorov, GR, Makaremi, M & Rabczuk, T 2018, 'Mechanical responses of two-dimensional MoTe2; pristine 2H, 1T and 1T′ and 1T′/2H heterostructure', Extreme Mechanics Letters, vol. 20, pp. 65-72. https://doi.org/10.1016/j.eml.2018.01.005
Mortazavi, B., Berdiyorov, G. R., Makaremi, M., & Rabczuk, T. (2018). Mechanical responses of two-dimensional MoTe2; pristine 2H, 1T and 1T′ and 1T′/2H heterostructure. Extreme Mechanics Letters, 20, 65-72. https://doi.org/10.1016/j.eml.2018.01.005
Mortazavi B, Berdiyorov GR, Makaremi M, Rabczuk T. Mechanical responses of two-dimensional MoTe2; pristine 2H, 1T and 1T′ and 1T′/2H heterostructure. Extreme Mechanics Letters. 2018 Apr;20:65-72. Epub 2018 Jan 31. doi: 10.1016/j.eml.2018.01.005
Mortazavi, Bohayra ; Berdiyorov, Golibjon R. ; Makaremi, Meysam et al. / Mechanical responses of two-dimensional MoTe2; pristine 2H, 1T and 1T′ and 1T′/2H heterostructure. In: Extreme Mechanics Letters. 2018 ; Vol. 20. pp. 65-72.
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AU - Berdiyorov, Golibjon R.

AU - Makaremi, Meysam

AU - Rabczuk, Timon

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