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

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

Research output: Contribution to journalArticlepeer-review

35 Citations (Scopus)


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.

Original languageEnglish
Pages (from-to)65-72
Number of pages8
JournalExtreme Mechanics Letters
Publication statusPublished - 2018 Apr

Bibliographical note

Funding Information:
B. M. and T. R. greatly acknowledge the financial support by European Research Council for COMBAT project (Grant number 615132 ).

Publisher Copyright:
© 2018 Elsevier Ltd


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

ASJC Scopus subject areas

  • Bioengineering
  • Chemical Engineering (miscellaneous)
  • Engineering (miscellaneous)
  • Mechanics of Materials
  • Mechanical Engineering


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