Investigation of doped Perovskite systems RAIO3 using density functional theory based electronic structure and thermoelectric studies

24th Condensed Matter Days National Conference

Sandeep^1 ; Rai, D.P.^2 ; Shankar, A.^3 ; Ghimire, M.P.^1 ; Thapa, R.K.^1

Condensed Matter Theory Research Group, Physics Department, Mizoram University, 796004, India^1

Department of Physics, Pachhunga University College, Aizawl

796001, India^2

Department of Physics, University of North Bengal, Darjeeling

734013, India^3

关键词: Broad temperature ranges;    Doping techniques;    Figure of merits;    First-principles calculation;    N-type materials;    Thermal transport properties;    Thermoelectric performance;    Thermoelectric properties;   

Others  :  https://iopscience.iop.org/article/10.1088/1742-6596/765/1/012003/pdf
DOI  :  10.1088/1742-6596/765/1/012003

来源: IOP

【 摘 要 】

Samarium doping effects on the thermoelectric properties in Eu1-xSmxAlO3(x=0%, 50%, and 100%) were studied using first principles calculations based thermal transport property measurement. The result indicate that the compound is an intrinsic n-type material. Samarium doping has a positive effect on the overall thermoelectric performance of the Eu1-xSmxAlO3system, with sharp increase in figure of merit (ZT) observed when x=0, 50 and 100% up to 150K. Compared to x=0 and 100%, the case of x=50% was found to have more positive increment in ZT value suggesting that the doing to have positive effect on figure of merit in Eu1-xSmxAlO3. Furthermore, all the samples show stable thermoelectric compatibility factors over a broad temperature range from 700 to 1000 K, which could have great benefits for their practical applications. It is concluded that the overall thermoelectric performance of the Eu1-xSmxAlO3could be highly enhanced using doping techniques.