Pressure-induced spin transition and site-selective metallization in CoCl2
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Barreda Argüeso, José Antonio; Nataf, Lucie; Aguado Menéndez, Fernando; Hernández Campo, Ignacio; González Gómez, Jesús Antonio; Otero de la Roza, Alberto; Luaña, Víctor; Jia, Yating; Jin, Changqing; Kim, Bongjae; Kim, Kyoo; Min, Byung L.; Heribert, Wilhem; Jephcoatl, Andrew P.; Rodríguez González, FernandoFecha
2019-04Derechos
Attribution 4.0 International
Publicado en
Scientific Reports, Vol. 9, Iss. 1, Art. Num. 5448
Editorial
Nature Publishing Group
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Resumen/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.
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