Pressure-induced spin transition and site-selective metallization in CoCl2 View Full Text


Ontology type: schema:ScholarlyArticle      Open Access: True


Article Info

DATE

2019-12

AUTHORS

Jose A. Barreda-Argüeso, Lucie Nataf, Fernando Aguado, Ignacio Hernández, Jesús González, Alberto Otero-de-la-Roza, Víctor Luaña, Yating Jia, Changqing Jin, Bongjae Kim, Kyoo Kim, Byung I. Min, Wilhem Heribert, Andrew P. Jephcoat, Fernando Rodríguez

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. More... »

PAGES

5448

Identifiers

URI

http://scigraph.springernature.com/pub.10.1038/s41598-019-41337-4

DOI

http://dx.doi.org/10.1038/s41598-019-41337-4

DIMENSIONS

https://app.dimensions.ai/details/publication/pub.1113158435

PUBMED

https://www.ncbi.nlm.nih.gov/pubmed/30931950


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