Volume and pressure dependences of the electronic, vibrational, and crystal structures of C s2CoC l4: Identification of a pressure-induced piezochromic phase at high pressure

L. Nataf, F. Aguado, I. Hernández, R. Valiente, J. González, M. N. Sanz-Ortiz, H. Wilhelm, A. P. Jephcoat, F. Baudelet, F. Rodríguez

Research output: Contribution to journalArticle

3 Citations (Scopus)

Abstract

This work investigates the high-pressure structure of Cs2CoCl4 and how it affects the electronic and vibrational properties using optical absorption, Raman spectroscopy, x-ray diffraction, and x-ray absorption in the 0-15 GPa range. In particular, we focus on the electronic and local structures of Co2+, since compression of Cs2CoCl4 yields structural transformations associated with change of coordination around Co2+, which are eventually responsible for the intense piezochromism at 7 GPa. This study provides a complete characterization of the electronic and vibrational structures of Cs2CoCl4 in the Pnma phase as a function of the cell volume and the local CoCl4 bond length, RCo-Cl, as well as its corresponding equation of state. In addition, our interest is to elucidate whether the phase transition undergone by Cs2CoCl4 at 7 GPa leads to a perovskite-layer-type structure where Co2+ is sixfold coordinated, decomposes into CsCl+CsCoCl3, or it involves an unknown phase with different coordination sites for Co2+. We show that Co2+ is sixfold coordinated in the high-pressure phase. The analysis of optical spectra and x-ray diffraction data suggests the formation of an interconnected structure of exchange-coupled Co2+ through edge-sharing octahedra at high pressure.

Original languageEnglish
Article number014110
JournalPhysical Review B
Volume95
Issue number1
DOIs
Publication statusPublished - Jan 24 2017
Externally publishedYes

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pressure dependence
Crystal structure
electronic structure
X rays
crystal structure
x ray diffraction
Diffraction
Bond length
x ray absorption
Equations of state
Perovskite
Light absorption
Raman spectroscopy
optical spectrum
optical absorption
equations of state
Phase transitions
cells
electronics
perovskite

ASJC Scopus subject areas

  • Condensed Matter Physics

Cite this

Volume and pressure dependences of the electronic, vibrational, and crystal structures of C s2CoC l4 : Identification of a pressure-induced piezochromic phase at high pressure. / Nataf, L.; Aguado, F.; Hernández, I.; Valiente, R.; González, J.; Sanz-Ortiz, M. N.; Wilhelm, H.; Jephcoat, A. P.; Baudelet, F.; Rodríguez, F.

In: Physical Review B, Vol. 95, No. 1, 014110, 24.01.2017.

Research output: Contribution to journalArticle

Nataf, L, Aguado, F, Hernández, I, Valiente, R, González, J, Sanz-Ortiz, MN, Wilhelm, H, Jephcoat, AP, Baudelet, F & Rodríguez, F 2017, 'Volume and pressure dependences of the electronic, vibrational, and crystal structures of C s2CoC l4: Identification of a pressure-induced piezochromic phase at high pressure', Physical Review B, vol. 95, no. 1, 014110. https://doi.org/10.1103/PhysRevB.95.014110
Nataf, L. ; Aguado, F. ; Hernández, I. ; Valiente, R. ; González, J. ; Sanz-Ortiz, M. N. ; Wilhelm, H. ; Jephcoat, A. P. ; Baudelet, F. ; Rodríguez, F. / Volume and pressure dependences of the electronic, vibrational, and crystal structures of C s2CoC l4 : Identification of a pressure-induced piezochromic phase at high pressure. In: Physical Review B. 2017 ; Vol. 95, No. 1.
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