Study of electronic and optical properties of lead telluride (PbTe) by using FP-LAPW method


A theoretical study of electronic and optical properties of PbTe using the full-potential augmented plane waves (FP-LAPW) within density-functional theory (DFT) was presented as implemented in WIEN2k code. We adopted the dipole approximation in our optical calculations. The dielectric function was calculated in the momentum representation, which requires matrix elements of the momentum p between occupied and unoccupied states. We identified the microscopic origin of the main features in the optical spectra and find the factors responsible for most of the optical absorption in this system.

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