Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
7170681 | Extreme Mechanics Letters | 2018 | 25 Pages |
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 1Tâ², with diverse properties, like semiconducting and metallic electronic characters. Using the polymorphic heteroepitaxy, most recently coplanar semiconductor/metal (2H/1Tâ²) 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 1Tâ²-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 1Tâ²/2H-MoTe2 heterostructure were explored, which confirms the remarkable strength of this novel 2D system.
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Authors
Bohayra Mortazavi, Golibjon R. Berdiyorov, Meysam Makaremi, Timon Rabczuk,