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The Substantive Characteristics of Layered PbX (X=S, Se, and Te) Compounds: An ab-inito Investigations

Humaira Takia, Md. Afjalur Rahman, Rahman Moshiur, M.M. Rahaman, Khokon Hossen

International Journal of Physics. 2022, 10(2), 102-110 doi:10.12691/ijp-10-2-3
  • Figure 1. The crystal structures of lead chalcogenides, PbX (X=S, Se and Te): the conventional cubic cell
  • Figure 2. The electronic band structure of (a) PbS, (b) PbSe, and (c) PbTe Crystals along with high symmetry direction in the Brillouin zones
  • Figure 3. Total and partial density of states for (a) PbS, (b) PbSe and (c) PbTe
  • Figure 4. The calculated optical functions of PbX (where X=S, Se and Te): (a) absorption, (b) conductivity, (c) reflectivity, (d) loss function, (e) real part of dielectric function, (f) imaginary part of dielectric function, (g) imaginary part of refractive index and (h) real part of refractive index in the polarization vector [100]