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

Figure 5.5 · Thesis 3 · Iturbe 2012

Figure 5.5 · Thesis 3 · Iturbe 2012

status thesis-only · visibility public · id plt:thesis-03.5.5

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Variation of (a) $\mathrm{GM}_{4}^{+}$distortion irrep amplitude (Å); (b) $\mathrm{X}_{3}^{+}$distortion irrep amplitude (Å); (c) $\mathrm{X}_{5}^{+}$distortion irrep amplitude ( $\AA$), and (d) isotropic temperature factors ( $\AA^{2}$), as function of experimentally calculated tolerance factor for $\mathrm{SrNd} M \mathrm{RuO}_{6}(M=\mathrm{Zn}, \mathrm{Co}, \mathrm{Mg}, \mathrm{Ni})$ at room temperature. Label color and symbol indicate three different refinements: black full circle, isotropic temperature factors for O1, O 2 and O 3 independent; blue empty circle, isotropic temperature factors of O 1 and O 2 refined with the same code and O3 independent; and red star, all isotropic temperature factors refined with the same code. In (d) half-full black and blue symbols, and dotted lines indicate the average value of the isotropic temperature factors for each refinement.

Variation of (a) \mathrm{GM}_{4}^{+}distortion irrep amplitude (Å); (b) \mathrm{X}_{3}^{+}distortion irrep amplitude (Å); (c) \mathrm{X}_{5}^{+}distortion irrep amplitude ( \AA), and (d) isotropic temperature factors ( \AA^{2}), as function of experimentally calculated tolerance factor for \mathrm{SrNd} M \mathrm{RuO}_{6}(M=\mathrm{Zn}, \mathrm{Co}, \mathrm{Mg}, \mathrm{Ni}) at room temperature. Label color and symbol indicate three different refinements: black full circle, isotropic temperature factors for O1, O 2 and O 3 independent; blue empty circle, isotropic temperature factors of O 1 and O 2 refined with the same code and O3 independent; and red star, all isotropic temperature factors refined with the same code. In (d) half-full black and blue symbols, and dotted lines indicate the average value of the isotropic temperature factors for each refinement.

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Thesis 3 · Iturbe 2012
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5.5
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amplitude-vs-t
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auto-cropped from the OCR Markdown crop box (stage B); materials and kind to be reviewed in Phase 1

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