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Pressure-induced spin transition and site-selective metallization in CoCl2


Abstract: The interplay between spin states and metallization in compressed CoCl 2 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 2+ 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 2+ , demonstrating that metallization and localized Co 2+ -3d low-spin magnetism can coexist prior to the full 3d-electron delocalization (Mott-Hubbard d-d breakdown) at pressures greater than 180 GPa.



Otras publicaciones de la misma revista o congreso con autores/as de la Universidad de Cantabria

 Autoría: Barreda-Argüeso J., Nataf L., Aguado F., Hernández I., González J., Otero-de-la-Roza A., Luaña V., Jia Y., Jin C., Kim B., Kim K., Min B., Heribert W., Jephcoat A., Rodríguez F.,

 Fuente: Scientific Reports, Vol. 9, Iss. 1, Art. Num. 5448

Editorial: Nature Publishing Group

 Fecha de publicación: 01/04/2019

Nº de páginas: 9

Tipo de publicación: Artículo de Revista

DOI: 10.1038/s41598-019-41337-4

ISSN: 2045-2322

Proyecto español: MAT2015-69508-P ; MAT2016-80438-P ; MAT2015-71070-REDC

Url de la publicación: https://doi.org/10.1038/s41598-019-41337-4

Autores/as

JOSE ANTONIO BARREDA ARGÜESO

NATAF, LUCIE

OTERO DE LA ROZA, ALBERTO

LUAÑA, VÍCTOR

JIA, YATING

JIN, CHANGQING

KIM, BONGJAE

KIM, KYOO

MIN, BYUNG L.

HERIBERT, WILHEM

JEPHCOATL, ANDREW P.