Argand Diagram Representation of Optical Response in SrZrO3

5TH INTERNATIONAL CONFERENCE ON ENGINEERING, NATURAL AND SOCIAL SCIENCES, Konya, Türkiye, 15 - 16 Nisan 2025, ss.1, (Özet Bildiri)

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.