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Transition metal dichalcogenides (TMD) are currently among the mostinteresting two-dimensional (2D) materials due to their outstanding properties.MoTe2 involves attractive polymorphic TMD crystals which can exist in threedifferent 2D atomic lattices of 2H, 1T and 1T', with diverse properties, likesemiconducting and metallic electronic characters. Using the polymorphicheteroepitaxy, most recently coplanar semiconductor/metal (2H/1T') few-layerMoTe2 heterostructures were experimentally synthesized, highly promising tobuild circuit components for next generation nanoelectronics. Motivated by therecent experimental advances, we conducted first-principles calculations toexplore the mechanical properties of single-layer MoTe2 structures. We firststudied the mechanical responses of pristine and single-layer 2H-, 1T- and1T'-MoTe2. In these cases we particularly analyzed the possibility ofengineering of the electronic properties of these attractive 2D structuresusing the biaxial or uniaxial tensile loadings. Finally, the mechanical-failureresponses of 1T'/2H-MoTe2 heterostructure were explored, which confirms theremarkable strength of this novel 2D system.

Mechanical responses of two-dimensional MoTe2; pristine 2H, 1T and 1T' and 1T'/2H heterostructure