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• W2742676587 abstract "Structural and thermoelectric properties are reported for a specially designed class of $A$-site substituted perovskite titanates, $(mathrm{S}{mathrm{r}}_{1ensuremath{-}xensuremath{-}y}mathrm{C}{mathrm{a}}_{x}mathrm{N}{mathrm{d}}_{y})mathrm{Ti}{mathrm{O}}_{3}$. Two series synthesized with various $A$-site Sr-rich or Ca-rich (Sr-poor) concentrations were investigated using high-resolution neutron powder diffraction as a function of temperature and Nd doping. Each series was designed to have a nominally constant tolerance factor at room temperature. We determine the room temperature structures as tetragonal $I4/mcm$ and orthorhombic $Pbnm$ for the Sr-rich and Ca-rich series, respectively. Three low-temperature orthorhombic structures, $Pbnm, Ibmm$, and $Pbcm$ were also observed for the Sr-rich series, whereas the symmetry of the Ca-rich series remains unchanged throughout the full measured temperature range. Thermoelectric properties of $(mathrm{S}{mathrm{r}}_{1ensuremath{-}xensuremath{-}y}mathrm{C}{mathrm{a}}_{x}mathrm{N}{mathrm{d}}_{y})mathrm{Ti}{mathrm{O}}_{3}$ were investigated and correlated with the structural variables. We succeeded in achieving a relatively high figure of merit $ZT=0.07$ at $ensuremath{sim}400phantom{rule{0.16em}{0ex}}mathrm{K}$ in the Sr-rich $mathrm{S}{mathrm{r}}_{0.76}mathrm{C}{mathrm{a}}_{0.16}mathrm{N}{mathrm{d}}_{0.08}mathrm{Ti}{mathrm{O}}_{3}$ composition which is comparable to that of the best $n$-type TE $mathrm{SrT}{mathrm{i}}_{0.80}mathrm{N}{mathrm{b}}_{0.20}{mathrm{O}}_{3}$ oxide material reported to date. For a fixed tolerance factor, the Nd doping enhances the carrier density and effective mass at the expense of the Seebeck coefficient. Thermal conductivity greatly reduces upon Nd doping in the Ca-rich series. With an enhanced Seebeck coefficient at elevated temperatures and reduced thermal conductivity, we predict that $mathrm{S}{mathrm{r}}_{0.76}mathrm{C}{mathrm{a}}_{0.16}mathrm{N}{mathrm{d}}_{0.08}mathrm{Ti}{mathrm{O}}_{3}$ and similar compositions have the potential to become some of the best materials in their class of thermoelectric oxides." @default.
• W2742676587 created "2017-08-17" @default.
• W2742676587 creator A5017113255 @default.
• W2742676587 creator A5026704538 @default.
• W2742676587 creator A5071697103 @default.
• W2742676587 creator A5072683735 @default.
• W2742676587 date "2017-08-07" @default.
• W2742676587 modified "2023-10-18" @default.
• W2742676587 title "Thermoelectric and structural correlations in (Sr1−x−yCaxNdy)TiO3 perovskites" @default.
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• W2742676587 doi "https://doi.org/10.1103/physrevb.96.064105" @default.
• W2742676587 hasPublicationYear "2017" @default.
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• W2742676587 hasAuthorship W2742676587A5072683735 @default.

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