Colossal switchable photocurrents in topological Janus transition metal dichalcogenides

Nonlinear optical properties, such as bulk photovoltaic effects, possess great potential in energy harvesting, photodetection, rectification, etc. To enable efficient light-current conversion, materials with strong photo-responsivity are highly desirable. In this work, we predict that monolayer Janus transition metal dichalcogenides (JTMDs) in the 1T ' phase possess colossal nonlinear photoconductivity owing to their topological band mixing, strong inversion symmetry breaking, and small electronic bandgap. 1T ' JTMDs have inverted bandgaps on the order of 10 meV and are exceptionally responsive to light in the terahertz (THz) range. By first-principles calculations, we reveal that 1T ' JTMDs possess shift current (SC) conductivity as large as 2300 nm mu A V-2, equivalent to a photo-responsivity of 2800 mA/W. The circular current (CC) conductivity of 1T ' JTMDs is as large as similar to 10(4) nm mu A V-2. These remarkable photo-responsivities indicate that the 1T ' JTMDs can serve as efficient photodetectors in the THz range. We also find that external stimuli such as the in-plane strain and out-of-plane electric field can induce topological phase transitions in 1T ' JTMDs and that the SC can abruptly flip their directions. The abrupt change of the nonlinear photocurrent can be used to characterize the topological transition and has potential applications in 2D optomechanics and nonlinear optoelectronics.

Automated summary

The study predicts that monolayer Janus transition metal dichalcogenides in the 1T ' phase have colossal nonlinear photoconductivity and are highly responsive to light in the terahertz range. The materials exhibit high shift current conductivity and circular current conductivity, demonstrating excellent photo-responsivity for efficient photodetection in the THz range. External stimuli can induce topological phase transitions in these materials, leading to abrupt changes in their nonlinear photocurrents, with potential applications in 2D optomechanics and nonlinear optoelectronics.