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Imperfections in the crystal structure, such as point defects, can stronglymodify the optical and transport properties of materials. Here, we study theeffect of point defects on the optical and DC conductivities of single layersof semiconducting transition metal dichalcogenides with the form $M$S$_2$,where $M$=Mo or W. The electronic structure is considered within a six bandstight-binding model, which accounts for the relevant combination of $d$orbitals of the metal $M$ and $p$ orbitals of the chalcogen $S$. We use theKubo formula for the calculation of the conductivity in samples with differentdistributions of disorder. We find that $M$ and/or S defects create mid-gapstates that localize charge carriers around the defects and which modify theoptical and transport properties of the material, in agreement with recentexperiments. Furthermore, our results indicate a much higher mobility for$p$-doped WS$_2$ in comparison to MoS$_2$.

Effect of Point Defects on the Optical and Transport Properties of MoS2 and WS2