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

DOI: 10.1038/s41598-019-41337-4 DOI Help

Authors: Jose A. Barreda-argüeso (Universidad de Cantabria) , Lucie Nataf (Synchrotron Soleil) , Fernando Aguado (Universidad de Cantabria) , Ignacio Hernandez (Universidad de Cantabria) , Jesús González (Universidad de Cantabria) , Alberto Otero-de-la-roza (Universidad de Oviedo) , Víctor Luaña (Universidad de Oviedo) , Yating Jia (Beijing National Laboratory for Condensed Matter Physics, Chinese Academy of Sciences) , Changqing Jin (Beijing National Laboratory for Condensed Matter Physics, Chinese Academy of Sciences) , Bongjae Kim (Pohang University of Science and Technology; Kunsan National University) , Kyoo Kim (Pohang University of Science and Technology) , Byung I. Min (Pohang University of Science and Technology) , Heribert Wilhelm (Diamond Light Source) , Andrew P. Jephcoat (Okayama University) , Fernando Rodriguez (Universidad de Cantabria)
Co-authored by industrial partner: No

Type: Journal Paper
Journal: Scientific Reports , VOL 9 , PAGES 9

State: Published (Approved)
Published: April 2019
Diamond Proposal Number(s): 832 , 1655 , 6078

Open Access Open Access

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.

Journal Keywords: High Pressure; CoCl2; metallization; spin crossover, Optical spectroscopy, XRF-EOS

Subject Areas: Materials, Physics, Chemistry

Diamond Offline Facilities: Chemistry
Instruments: I15-Extreme Conditions

Documents:
s41598-019-41337-4.pdf