@article{10902/20888,
year = {2019},
month = {4},
url = {http://hdl.handle.net/10902/20888},
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.},
organization = {Financial support from the Spanish Ministerio de Economıa y Competitividad (Project No. MAT2015-69508-P,
MAT2016-80438-P) and MALTA-CONSOLIDER (Ref. No. MAT2015-71070-REDC) is acknowledged.},
publisher = {Nature Publishing Group},
publisher = {Scientific Reports, Vol. 9, Iss. 1, Art. Num. 5448},
title = {Pressure-induced spin transition and site-selective metallization in CoCl2},
author = {Barreda Argüeso, José Antonio and Nataf, Lucie and Aguado Menéndez, Fernando and Hernández Campo, Ignacio and González Gómez, Jesús Antonio and Otero de la Roza, Alberto and Luaña, Víctor and Jia, Yating and Jin, Changqing and Kim, Bongjae and Kim, Kyoo and Min, Byung L. and Heribert, Wilhem and Jephcoatl, Andrew P. and Rodríguez González, Fernando},
}