CsPd0.875Cr0.125I3 Promising Candidate for Thermoelectric Applications


  • S. Berri Department of Physics, Faculty of Science, University of M’sila, Laboratory for Developing New Materials and Their Characterizations, University of Setif 1




thermoelectric, perovskite, solar cell, DFT, magnetic materials


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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How to Cite

Berri, S. (2021). CsPd0.875Cr0.125I3 Promising Candidate for Thermoelectric Applications. Ukrainian Journal of Physics, 66(12), 1063. https://doi.org/10.15407/ujpe66.12.1063



Physics of magnetic phenomena and physics of ferroics