The present findings support the potential decorrelation between insulator/metal transition and the high-spin to low-spin continuous transition, and relate the changes in the microscopic structure with macroscopic properties, such as the closure of the Fe-FeO miscibility gap. Liquid density is smoothly evolving between 60 and 150 GPa from values calculated for magnetic liquid to those calculated for non-magnetic liquid, compatibly with a continuous spin crossover in liquid FeO. Our results highlight a strong shortening of the Fe-Fe distance, particularly pronounced between ambient pressure and ∼40 GPa, possibly related with the insulator to metal transition occurring in solid FeO over a similar pressure range. Here, in situ high-pressure and high-temperature X-ray diffraction experiments, ab initio simulations, and thermodynamic calculations are combined to study the local structure and density evolution of liquid FeO under extreme conditions. However, its properties in the liquid state under high pressure are poorly constrained.
FeO represents an important end-member for planetary interiors mineralogy.
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