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Hydrogenic donor impurity states and intersubband optical absorption spectra in monolayer transition metal dichalcogenides with dielectric environments


 The systematic studies of hydrogenic donor impurity states and intersubband optical absorption spectra in monolayer transition metal dichalcogenides (ML TMDs) with dielectric environments are theoretically investigated based on a two-dimensional (2D) nonorthogonal associated Laguerre basis set. The 2D quantum confinement effect together with the strongly reduced dielectric screening results in the strong attractive Coulomb potential between electron and donor ion with exceptionally large impurity binding energy and huge intersubband oscillator strength. These lead to the strong interaction of the electron with light in a 2D regime. The intersubband optical absorption spectra exhibit strong absorption lines of the non-hydrogenic Rydberg series in the mid-infrared range of light. The strength of the Coulomb potential can be controlled by changing the dielectric environment. The electron affinity difference leads to charge transfer between ML TMD and the dielectric environment, generating the polarization electric field in ML TMD accompanied by weakening the Coulomb interaction strength. The larger the dielectric constant of the dielectric environment, the more the charge transfer, accompanied by the larger polarization electric field with the stronger dielectric screening. The dielectric environment is shown to provide an efficient tool to tune the wavelength and output of the mid-infrared intersubband devices based on ML TMDs.