perovskite atlas Structures, modes and phase transitions · Josu M. Igartua · UPV/EHU

Figure 8.7 · Thesis 4 · Orayech 2015

Figure 8.7 · Thesis 4 · Orayech 2015

status thesis-only · visibility public · id plt:thesis-04.8.7

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Temperature evolution of the amplitudes of some of the symmetry adapted modes in $P 2_{1} / n$ and $R \overline{3}$, as obtained from the XRPD data refinements for (top) $\mathrm{Sr}_{2} \mathrm{NdSbO}_{6}$ and $\mathrm{Sr}_{2} \mathrm{YSbO}_{6}$ (bottom). $\mathrm{GM}_{4}^{+}$, $\mathrm{X}_{3}^{+}, \mathrm{X}_{5}^{+}$and $\mathrm{GM}_{4}^{+}, \mathrm{GM}_{5}^{+}$are the freed modes in the refinements for the $P 2_{1} / n$ and $R \overline{3}$ respectively. The amplitudes of the irreps in the high symmetry phase, $R \overline{3}$, have been scaled (multiplied by $3 / 2$) to see the evolution, since the program AMPLIMODES uses mode normalization within the corresponding primitive unit cell and the obtained values were fitted with the equation $A_{G M_{4}^{-}}=A(0)_{G M_{4}^{-}}\left[T_{c}-T\right]^{\alpha}$ with $A(0)_{G M_{4}^{-}}=0.62(5), T_{c}=1225 \mathrm{K}$ and $\alpha=0.20(8)$ for $\mathrm{Sr}_{2} \mathrm{NdSbO}_{6}$ and $A(0)_{G M_{4}^{-}}=0.46(1), T_{c}=875 \mathrm{K}$ and $\alpha=0.22(4)$ for $\mathrm{Sr}_{2} \mathrm{YSbO}_{6}$.

Temperature evolution of the amplitudes of some of the symmetry adapted modes in P 2_{1} / n and R \overline{3}, as obtained from the XRPD data refinements for (top) \mathrm{Sr}_{2} \mathrm{NdSbO}_{6} and \mathrm{Sr}_{2} \mathrm{YSbO}_{6} (bottom). \mathrm{GM}_{4}^{+}, \mathrm{X}_{3}^{+}, \mathrm{X}_{5}^{+}and \mathrm{GM}_{4}^{+}, \mathrm{GM}_{5}^{+}are the freed modes in the refinements for the P 2_{1} / n and R \overline{3} respectively. The amplitudes of the irreps in the high symmetry phase, R \overline{3}, have been scaled (multiplied by 3 / 2) to see the evolution, since the program AMPLIMODES uses mode normalization within the corresponding primitive unit cell and the obtained values were fitted with the equation A_{G M_{4}^{-}}=A(0)_{G M_{4}^{-}}\left[T_{c}-T\right]^{\alpha} with A(0)_{G M_{4}^{-}}=0.62(5), T_{c}=1225 \mathrm{K} and \alpha=0.20(8) for \mathrm{Sr}_{2} \mathrm{NdSbO}_{6} and A(0)_{G M_{4}^{-}}=0.46(1), T_{c}=875 \mathrm{K} and \alpha=0.22(4) for \mathrm{Sr}_{2} \mathrm{YSbO}_{6}.

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Thesis 4 · Orayech 2015
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