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.
journal_name
Sci Repjournal_title
Scientific reportsauthors
Barreda-Argüeso JA,Nataf L,Aguado F,Hernández I,González J,Otero-de-la-Roza A,Luaña V,Jia Y,Jin C,Kim B,Kim K,Min BI,Heribert W,Jephcoat AP,Rodríguez Fdoi
10.1038/s41598-019-41337-4subject
Has Abstractpub_date
2019-04-01 00:00:00pages
5448issue
1issn
2045-2322pii
10.1038/s41598-019-41337-4journal_volume
9pub_type
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