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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.

 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

Authorship

JOSE ANTONIO BARREDA ARGÜESO

NATAF, LUCIE

JESUS ANTONIO GONZALEZ GOMEZ

OTERO DE LA ROZA, ALBERTO

LUAÑA, VÍCTOR

JIA, YATING

JIN, CHANGQING

KIM, BONGJAE

KIM, KYOO

MIN, BYUNG L.

HERIBERT, WILHEM

JEPHCOATL, ANDREW P.