TY - JOUR AU - Kashuba, A.I. AU - Andriyevsky, B. AU - Semkiv, I.V. AU - Ilchuk, H.A. AU - Petrus, R.Y. AU - Storozhuk, Ya.M. PY - 2022/01/27 Y2 - 2024/03/29 TI - First-principle calculations of band energy structure of CdSe0.5S0.5 solid state solution thin films: Array JF - Physics and Chemistry of Solid State JA - Phys. Chem. Sol. State VL - 23 IS - 1 SE - Scientific articles (Physics) DO - 10.15330/pcss.23.1.52-56 UR - https://scijournals.pnu.edu.ua/index.php/pcss/article/view/5467 SP - 52-56 AB - <p>The electronic band structure of the solid-state CdSe<sub>0.5</sub>S<sub>0.5</sub> thin film solution in the framework of the density functional theory calculations is investigated. The structure of the sample is constructed on the original binary compound CdS, which crystallizes in the wurtzite phase. Transformations of the electronic energy spectra for the solid-state CdSe<sub>0.5</sub>S<sub>0.5</sub> solution, which occur in the process of transition from bulk crystals to thin films, are analyzed. The refractive index and high-frequency dielectric constant are calculated. All of the calculated parameters correlate well with the known experimental data.</p> ER -