High elasticity and strength of ultra-thin metallic transition metal dichalcogenides

Abstract

Mechanical properties of transition metal dichalcogenides (TMDCs) are relevant to their prospective applications in flexible electronics. So far, the focus has been on the semiconducting TMDCs, mostly MoX₂ and WX₂ (X = S, Se) due to their potential in optoelectronics. A comprehensive understanding of the elastic properties of metallic TMDCs is needed to complement the semiconducting TMDCs in flexible optoelectronics. Thus, mechanical testing of metallic TMDCs is pertinent to the realization of the applications. Here, we report on the atomic force microscopy-based nano-indentation measurements on ultra-thin 2H-TaS₂ crystals to elucidate the stretching and breaking of the metallic TMDCs. We explored the elastic properties of 2H-TaS₂ at different thicknesses ranging from 3.5 nm to 12.6 nm and find that the Young's modulus is independent of the thickness at a value of 85.9 ± 10.6 GPa, which is lower than the semiconducting TMDCs reported so far. We determined the breaking strength as 5.07 ± 0.10 GPa which is 6% of the Young's modulus. This value is comparable to that of other TMDCs. We used ab initio calculations to provide an insight into the high elasticity measured in 2H-TaS₂. We also performed measurements on a small number of 1T-TaTe₂, 3R-NbS₂ and 1T-NbTe₂ samples and extended our ab initio calculations to these materials to gain a deeper understanding on the elastic and breaking properties of metallic TMDCs. This work illustrates that the studied metallic TMDCs are suitable candidates to be used as additives in composites as functional and structural elements and for flexible conductive electronic devices.