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Van der Waals semiconductor heterostructures could be a platform to harnesshot photoexcited carriers in the next generation of optoelectronic andphotovoltaic devices. The internal quantum efficiency of hot-carrier devices isdetermined by the relation between photocarrier extraction and thermalizationrates. Using \textit{ab-initio} methods we show that the photocarrierthermalization time in single-layer transition metal dichalcogenides stronglydepends on the peculiarities of the phonon spectrum and the electronicspin-orbit coupling. In detail, the lifted spin degeneracy in the valence bandsuppresses the hole scattering on acoustic phonons, slowing down thethermalization of holes by one order of magnitude as compared to electrons.Moreover, the hole thermalization time behaves differently in MoS$_2$ andWSe$_2$ because spin-orbit interactions differ in these seemingly similarmaterials. We predict that the internal quantum efficiency of a tunneling vander Waals semiconductor heterostructure depends qualitatively on whetherMoS$_2$ or WSe$_2$ is used.

physical review research

Thermalization of photoexcited carriers in two-dimensional transition  metal dichalcogenides and internal quantum efficiency of van der Waals  heterostructures