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

Figure 7.1 · Thesis 4 · Orayech 2015

Figure 7.1 · Thesis 4 · Orayech 2015

status thesis-only · visibility public · id plt:thesis-04.7.1

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Energy projections, in the $\mathrm{X} 5+$ two-dimensional space (A10, A11), for a fixed value of $\mathrm{X}_{3}^{+}$as indicated and for the set of values of $\mathrm{GM}_{4}^{+}$, as indicated. The values for the amplitudes, are taken from a regular grid (16 points in each dimension) created to construct the energy, one virtual distorted structure for the given set of amplitude-values in the grid. The energy tetra-surface is constructed after the relaxed structures' energies, obtained form the simulations, are fitted to the polynomial constructed with the invariant, up to the fourth-order, terms describing the symmetry breaking form the prototype $F m \overline{3} m$ cubic to the $P 2_{1} / n$ monoclinic.

Energy projections, in the \mathrm{X} 5+ two-dimensional space (A10, A11), for a fixed value of \mathrm{X}_{3}^{+}as indicated and for the set of values of \mathrm{GM}_{4}^{+}, as indicated. The values for the amplitudes, are taken from a regular grid (16 points in each dimension) created to construct the energy, one virtual distorted structure for the given set of amplitude-values in the grid. The energy tetra-surface is constructed after the relaxed structures’ energies, obtained form the simulations, are fitted to the polynomial constructed with the invariant, up to the fourth-order, terms describing the symmetry breaking form the prototype F m \overline{3} m cubic to the P 2_{1} / n monoclinic.

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Thesis 4 · Orayech 2015
Figure
7.1
Kind
amplitude-vs-t
Rights
own
Reproduce
not-needed

auto-cropped from the OCR Markdown crop box (stage B); materials and kind to be reviewed in Phase 1

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