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Transition metal dichalcogenides (TMDs) are promising candidates for a widevariety of ultrascaled electronic, quantum computation, and optoelectronicapplications. The exponential decay of electronic density of states into thebandgap, i.e. the band tail has a strong impact on the performance of TMDapplications. In this work, the band tails of various TMD monolayer andmultilayer systems when placed on various dielectric substrates is predictedwith density functional theory based nonequilibrium Green's functions. Nonlocalscattering of electrons on polar optical phonons, charged impurities and remotescattering on phonons in the dielectric materials is included in theself-consistent Born approximation. The band tails are found to criticallydepend on the layer thickness, temperature, doping concentration andparticularly on the chosen dielectric substrate. The underlying physicalmechanisms are studied in high detail and an analytical interpolation formulais given to provide a quick-reference for Urbach parameters in $MoS_2$, $WS_2$and $WSe_2$.

Band tail formation in mono and multilayered transition metal dichalcogenides: A detailed assessment and a quick-reference guide