Теоретична оцінка оптичних, вібраційних та структурних властивостей чотирикомпонентного сплаву з елементів II та VI груп Zn0,5Cd0,5SySe1–y

• Дата: 2023
• Автори: Jhakal, R.K., Sharma, M.D., Paliwal, U.
• Формат: Стаття
• Мова: English
• Опубліковано: Publishing house "Academperiodika" 2023
• Теми: II–VI quaternary alloys; empirical pseudopotential method; elastic constants; чотирикомпонентнi сплави з елементiв II та VI груп; метод емпiричного псевдопотенцiалу; коефiцiєнти пружностi
• Онлайн доступ: https://ujp.bitp.kiev.ua/index.php/ujp/article/view/2023011
• Назва журналу: Ukrainian Journal of Physics

We present a theoretical estimation of optical, vibrational, and structural properties of II–VI semiconducting quaternary alloy Zn0.5Cd0.5SySe1−y for 0 < y < 1 giving total 10 compositions. The estimation of refractive index, elastic constants, bulk modulus, and vibrational frequencies are performed using the important input parameters provided by the empirical pseudopotential method. In this method, the bandgaps are computed, and the alloying effects are modeled through the modified virtual crystal approximation. We have computed the static refractive index, static and high-frequency dielectric constants, longitudinal and transverse optical phonon frequencies, elastic constants, bulk modulus, and cohesive energy for 10 compositions of the alloy. The results are compared to other experimental and theoretical values wherever available.