Akademik Veri Yönetim Sistemi
Sunum, ss.1, 2025
In this study, the optical behavior of SrZrO3 crystal is investigated within the scope of density functional theory (DFT) and general gradient approximation (GGA). Within the scope of the analysis, the frequency-dependent real ε1(ω) and imaginary ε2(ω) components of the complex dielectric function are calculated. Then, by evaluating the ε1(ω)−1 and ε2(ω) components together, Argand diagrams are created for SrZrO3 crystal. These diagrams visually represent the behavior of the optical response in the complex plane, allowing for more detailed analysis of resonant structures. In the created Argand diagrams, circles corresponding to specific frequency ranges and placed tangentially in spectrally significant regions are drawn. Each circle corresponds to a single Lorentz oscillator (LO) and represents the optical transition character of the relevant resonance. Thanks to this approach, basic parameters specific to the oscillator such as resonance frequency, half-width and maximum absorption can be obtained graphically. The applied method reveals the optical transition mechanisms of the SrZrO3 crystal more clearly.