000005879 001__ 5879
000005879 005__ 20221105150539.0
000005879 0247_ $$2DOI$$a10.1029/2022JB025117
000005879 037__ $$aSCART-2022-0109
000005879 100__ $$aMorard, Guillaume 
000005879 245__ $$aStructural and Electronic Transitions in Liquid FeO Under High Pressure
000005879 260__ $$c2022
000005879 520__ $$aFeO represents an important end-member for planetary interiors mineralogy. However, its properties in the liquid state under high pressure are poorly constrained. Here, in situ high-pressure and high-temperature X-ray diffraction experiments, ab initio simulations, and thermodynamic calculations are combined to study the local structure and density evolution of liquid FeO under extreme conditions. Our results highlight a strong shortening of the Fe-Fe distance, particularly pronounced between ambient pressure and ?40 GPa, possibly related with the insulator to metal transition occurring in solid FeO over a similar pressure range. Liquid density is smoothly evolving between 60 and 150 GPa from values calculated for magnetic liquid to those calculated for non-magnetic liquid, compatibly with a continuous spin crossover in liquid FeO. The present findings support the potential decorrelation between insulator/metal transition and the high-spin to low-spin continuous transition, and relate the changes in the microscopic structure with macroscopic properties, such as the closure of the Fe-FeO miscibility gap. Finally, these results are used to construct a parameterized thermal equation of state for liquid FeO providing densities up to pressure and temperature conditions expected at the Earth's core-mantle boundary.
000005879 536__ $$a3PRODPLANINT/$$c3PRODPLANINT/$$f3PRODPLANINT
000005879 594__ $$aNO
000005879 700__ $$aAntonangeli, Daniele 
000005879 700__ $$aBouchet, Johann 
000005879 700__ $$aRivoldini, Attilio 
000005879 700__ $$aBoccato, Silvia 
000005879 700__ $$aMiozzi, Francesca 
000005879 700__ $$aBoulard, Eglantine 
000005879 700__ $$aBureau, Hélène 
000005879 700__ $$aMezouar, Mohamed 
000005879 700__ $$aPrescher, Clemens 
000005879 700__ $$aChariton, Stella 
000005879 700__ $$aGreenberg, Eran
000005879 773__ $$n11$$pJournal of Geophysical Research: Solid Earth$$v127$$y2022
000005879 8560_ $$fattilio.rivoldini@observatoire.be
000005879 8564_ $$s1796688$$uhttp://publi2-as.oma.be/record/5879/files/Morard2022aa00.pdf
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000005879 905__ $$apublished in
000005879 980__ $$aREFERD