Abstract
Using first-principles calculations, we investigate the effects of in-plane biaxial strain and charge doping on the charge-density-wave (CDW) order of monolayer 1H-TaSe2. Our results show that the compressive strain can enhance the CDW order, while the tensile strain suppresses the CDW order of monolayer 1H-TaSe2. The contrary results of strain-tuned CDW orders in 1H-TaSe2 and 1T-TiSe2 are explained based on the different lattice distortions and responses to strain. Furthermore, we find that the electron doping can enhance the CDW order, while the hole doping suppresses the CDW order. Our results show that the strain and charge doping can effectively control the CDW order of monolayer 1H-TaSe2, which makes monolayer 1H-TaSe2 a candidate material for a two-dimensional CDW electronic device. Further experimental investigations are needed to confirm the present predictions.
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