2023
DOI: 10.1021/acs.jpcc.3c04019
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High-Pressure Vibrational and Structural Properties of Ni3V2O8 and Co3V2O8 up to 20 GPa

Josu Sánchez-Martín,
Julio Pellicer-Porres,
Akun Liang
et al.

Abstract: The vibrational and structural behaviors of Ni3V2O8 and Co3V2O8 orthovanadates have been studied up to around 20 GPa by means of X-ray diffraction, Raman spectra, and theoretical simulations. Both materials crystallize in an orthorhombic Kagomé staircase structure (space group: Cmca) at ambient conditions, and no phase transition was found in the whole pressure range. In order to identify the symmetry of the detected Raman-active modes under high pressure, single crystal samples of those materials were used i… Show more

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Cited by 5 publications
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“…These modes involve significant stretching movements of the V–O bonds. 4,16,36 Therefore, it is not surprising that they will be affected by changes the coordination polyhedron of V that we determined based on XRD experiments and DFT calculations. This observation is discussed in detail in section III.B.…”
Section: Resultsmentioning
confidence: 84%
“…These modes involve significant stretching movements of the V–O bonds. 4,16,36 Therefore, it is not surprising that they will be affected by changes the coordination polyhedron of V that we determined based on XRD experiments and DFT calculations. This observation is discussed in detail in section III.B.…”
Section: Resultsmentioning
confidence: 84%