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  5. Study of thermoelectric properties of Sr₀.₉₂A₀.₀₈TiO₃ (A=Yb / Tm) perovskite oxide using density functional theory method
 
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Study of thermoelectric properties of Sr₀.₉₂A₀.₀₈TiO₃ (A=Yb / Tm) perovskite oxide using density functional theory method

Journal
IOP Conference Series
ISSN
1757-8981
1757-899X
Date Issued
2020
Author(s)
Akeem Adekunle Adewale
Universiti Malaysia Perlis
Abdullah Chik
Universiti Malaysia Perlis
Ruhiyuddin Mohd Zaki
Universiti Malaysia Perlis
DOI
10.1088/1757-899X/957/1/012009
Handle (URI)
https://iopscience.iop.org/article/10.1088/1757-899X/957/1/012009/pdf
https://iopscience.iop.org/article/10.1088/1757-899X/957/1/012009
https://hdl.handle.net/20.500.14170/14899
Abstract
The first principle methods have been employed to investigate electronic and thermoelectric properties of Sr₀.₉₂Yb₀.₀₈TiO₃ and Sr₀.₉₂Tm₀.₀₈TiO₃ perovskite-oxide based molded samples. Generalized gradient approximation (GGA) with Hubbard U parameter is used by WIEN2k code for the calculations. The straight band line was observed in the band structure of both studied samples. This was generated from 4f-orbitals as shown in partial density of state diagrams. It is also noticed that Yb and Tm doped in SrTiO₃ changed the perovskite-based oxide from a wideband insulator to metallic nature. A thermoelectric power factor of Sr₀.₉₂Tm₀.₀₈TiO₃ sample is higher than that of Sr₀.₉₂Yb₀.₀₈TiO₃, this is as a result of its huge electrical conductivity. The dependent of chemical potential to temperature was revealed in the study where high value of power factor was recorded for high temperature.
File(s)
Study of thermoelectric properties of Sr0.92A0.08TiO3.pdf (1.6 MB)
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