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First principles calculation of a large variation in dielectric tensor through the spin crossover in the CsFe[Cr(CN)6] Prussian blue analogue

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Figure

Table II. The clamped nuclei (ε!), static (ε!) and phonon contribution
Table III. The frequencies (ν, cm-1), irreducible representation (Irrep.), oscillator
Figure I. The conventional crystallographic cell of the Cs+Fe2+[Cr3+(CN)6] Prussian
Figure II. The (a) real (Re) and (b) imaginary (Im) parts of the frequency-dependent

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