Pressure-induced spin transition and site-selective metallization in CoCl 2

The interplay between spin states and metallization in compressed CoCl is investigated by combining diffraction, resistivity and spectroscopy techniques under high-pressure conditions and ab-initio calculations. A pressure-induced metallization along with a Co high-spin (S = 3/2) to low-spin (S = 1/...

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Bibliographic Details
Published in:Scientific reports 2019-12, Vol.9 (1), p.5448
Main Authors: Barreda-Argüeso, Jose A, Nataf, Lucie, Aguado, Fernando, Hernández, Ignacio, González, Jesús, Otero-de-la-Roza, Alberto, Luaña, Víctor, Jia, Yating, Jin, Changqing, Kim, Bongjae, Kim, Kyoo, Min, Byung I, Heribert, Wilhem, Jephcoat, Andrew P, Rodríguez, Fernando
Format: Article
Language:English
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Summary:The interplay between spin states and metallization in compressed CoCl is investigated by combining diffraction, resistivity and spectroscopy techniques under high-pressure conditions and ab-initio calculations. A pressure-induced metallization along with a Co 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 Co , demonstrating that metallization and localized Co -3d low-spin magnetism can coexist prior to the full 3d-electron delocalization (Mott-Hubbard d-d breakdown) at pressures greater than 180 GPa.
ISSN:2045-2322
DOI:10.1038/s41598-019-41337-4