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Instruments / Technical Area	Publication Details	Published	Actions
I15-Extreme Conditions	Pressure-induced spin transition and site-selective metallization in CoCl2 Jose A. Barreda-Argüeso , Lucie Nataf , Fernando Aguado , Ignacio Hernandez , Jesús González , Alberto Otero-De-La-Roza , Víctor Luaña , Yating Jia , Changqing Jin , Bongjae Kim , Kyoo Kim , Byung I. Min , Heribert Wilhelm , Andrew P. Jephcoat , Fernando Rodriguez Scientific Reports 9, 9 DOI: 10.1038/s41598-019-41337-4 Diamond Proposal Number(s): [832, 1655, 6078] Open Access Show Abstract ▼ Abstract: The interplay between spin states and metallization in compressed CoCl2 is investigated by combining diffraction, resistivity and spectroscopy techniques under high-pressure conditions and ab-initio calculations. A pressure-induced metallization along with a Co2+ high-spin (s = 3/2) to low-spin (S = 1/2) crossover transition is observed at high pressure near 70 GPa. This metallization process, which is associated with the p-d charge-transfer band gap closure, maintains the localization of 3d electrons around Co2+, demonstrating that metallization and localized Co2+ -3d low-spin magnetism can coexist prior to the full 3d-electron delocalization (Mott-Hubbard d-d breakdown) at pressures greater than 180 GPa.	Apr 2019

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