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Figure 1

From: Pressure-induced spin transition and site-selective metallization in CoCl2

Figure 1

(a) Structural phase-transition sequence in CoCl2 under high-pressure conditions determined by density-functional-theory calculations and confirmed experimentally by x-ray diffraction. (b) Simplified Tanabe-Sugano diagram for octahedral Co2+ (3d7) showing the effect of pressure (i.e. Δ/B) on the excited state energies, and HS-LS crossover (Δ/B = 21). See also Supplementary Figs S1–S9.

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