Pressure-induced spin transition and site-selective metallization in CoCl                         2

Jose A. Barreda-Argüeso; Lucie Nataf; Fernando Aguado; Ignacio Hernández; Jesús González; Alberto Otero-de-la-Roza; Víctor Luaña; Yating Jia; Changqing Jin; Bongjae Kim; Kyoo Kim; Byung I. Min; Wilhem Heribert; Andrew P. Jephcoat; Fernando Rodríguez

doi:10.1038/s41598-019-41337-4

Pressure-induced spin transition and site-selective metallization in CoCl ₂

Jose A. Barreda-Argüeso, Lucie Nataf, Fernando Aguado, Ignacio Hernández, Jesús González, Alberto Otero-de-la-Roza, Víctor Luaña, Yating Jia, Changqing Jin, Bongjae Kim, Kyoo Kim, Byung I. Min, Wilhem Heribert, Andrew P. Jephcoat, Fernando Rodríguez

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13 Scopus citations

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.

Original language	English
Article number	5448
Journal	Scientific Reports
Volume	9
Issue number	1
DOIs	https://doi.org/10.1038/s41598-019-41337-4
State	Published - 1 Dec 2019

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Barreda-Argüeso, J. A., 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. I., Heribert, W., Jephcoat, A. P., & Rodríguez, F. (2019). Pressure-induced spin transition and site-selective metallization in CoCl ₂ Scientific Reports, 9(1), Article 5448. https://doi.org/10.1038/s41598-019-41337-4

@article{854691ee667b43ecb043968fdbef8887,

title = " Pressure-induced spin transition and site-selective metallization in CoCl 2 ",

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.",

author = "Barreda-Arg{\"u}eso, {Jose A.} and Lucie Nataf and Fernando Aguado and Ignacio Hern{\'a}ndez and Jes{\'u}s Gonz{\'a}lez and Alberto Otero-de-la-Roza and V{\'i}ctor Lua{\~n}a and Yating Jia and Changqing Jin and Bongjae Kim and Kyoo Kim and Min, {Byung I.} and Wilhem Heribert and Jephcoat, {Andrew P.} and Fernando Rodr{\'i}guez",

note = "Publisher Copyright: {\textcopyright} 2019, The Author(s).",

year = "2019",

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doi = "10.1038/s41598-019-41337-4",

language = "English",

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journal = "Scientific Reports",

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Barreda-Argüeso, JA, Nataf, L, Aguado, F, Hernández, I, González, J, Otero-de-la-Roza, A, Luaña, V, Jia, Y, Jin, C, Kim, B, Kim, K, Min, BI, Heribert, W, Jephcoat, AP & Rodríguez, F 2019, ' Pressure-induced spin transition and site-selective metallization in CoCl ₂ ', Scientific Reports, vol. 9, no. 1, 5448. https://doi.org/10.1038/s41598-019-41337-4

TY - JOUR

T1 - Pressure-induced spin transition and site-selective metallization in CoCl 2

AU - Barreda-Argüeso, Jose A.

AU - Nataf, Lucie

AU - Aguado, Fernando

AU - Hernández, Ignacio

AU - González, Jesús

AU - Otero-de-la-Roza, Alberto

AU - Luaña, Víctor

AU - Jia, Yating

AU - Jin, Changqing

AU - Kim, Bongjae

AU - Kim, Kyoo

AU - Min, Byung I.

AU - Heribert, Wilhem

AU - Jephcoat, Andrew P.

AU - Rodríguez, Fernando

PY - 2019/12/1

Y1 - 2019/12/1

N2 - 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.

AB - 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.

UR - http://www.scopus.com/inward/record.url?scp=85063750592&partnerID=8YFLogxK

U2 - 10.1038/s41598-019-41337-4

DO - 10.1038/s41598-019-41337-4

M3 - Article

C2 - 30931950

AN - SCOPUS:85063750592

SN - 2045-2322

VL - 9

JO - Scientific Reports

JF - Scientific Reports

IS - 1

M1 - 5448

ER -

Pressure-induced spin transition and site-selective metallization in CoCl ₂

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