CsPd0,875Cr0,125I3: перспективний кандидат для застосувань в області термоелектрики

• Date: 2021
• Main Author: Berri, S.
• Format: Article
• Language: English
• Published: Publishing house "Academperiodika" 2021
• Subjects: термоелектричний; перовскiт; сонячний елемент; теорiя функцiонала густини; магнiтнi матерiали
• Online Access: https://ujp.bitp.kiev.ua/index.php/ujp/article/view/2021088
• Journal Title: Ukrainian Journal of Physics

We study the electronic structure, magnetization, and thermoelectric properties of CsPd0.875Cr0.125I3 obtained by doping CsPdI3 with atoms of the 3d transition metal Cr. By applying the generalized-gradient-approximation (GGA) and the GGA + U one, we found that CsPd0.875Cr0.125I3 alloy exhibits a co...