CsPd0,875Cr0,125I3: перспективний кандидат для застосувань в області термоелектрики
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...
Збережено в:
| Дата: | 2021 |
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| Автор: | |
| Формат: | Стаття |
| Мова: | English |
| Опубліковано: |
Publishing house "Academperiodika"
2021
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| Теми: | |
| Онлайн доступ: | https://ujp.bitp.kiev.ua/index.php/ujp/article/view/2021088 |
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| Назва журналу: | Ukrainian Journal of Physics |
Репозитарії
Ukrainian Journal of Physics| Резюме: | 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 completely metallic characteristic. Changes in the thermoelectric properties of the alloy are determined with the use of the BoltzTrap code. The electronic thermal conductivities (k/т), Seebeck coefficients (S), power factors (PF), and electrical conductivities (q/т) are calculated. The value of the ZT merit factor is near 1 at room temperature, by indicating that CsPd0.875Cr0.125I3 is a good candidate for thermoelectric applications at high and low temperatures. |
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