Investigation of Structural, Electronic, and Optical Properties of Chalcogen-Doped ZrS₂: A DFT Analysis

Figure 4

Diagrams of the optical parameters (absorption (a), dielectric function (real) (b), dielectric function (imaginary) (c), conductivity (d), reflectivity (e), refractive index (f), and loss function (g)) of pristine ZrS₂ and X (X = O, Se, and Te)-doped ZrS₂.

(a)

(b)

(c)

(d)

(e)

(f)

(g)