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Related Experiment Video

Updated: May 24, 2025

$High Pressure Single Crystal Diffraction at PX^2$

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Published on: January 16, 2017

High-Pressure Single-Crystal X-Ray Diffraction Study of ErVO₄.

Josu Sánchez-Martín¹, Gastón Garbarino², Samuel Gallego-Parra²

¹Departamento de Física Aplicada-ICMUV, MALTA Consolider Team, Universidad de Valencia, Dr. Moliner 50, Burjassot, 46100 Valencia, Spain.

Inorganic Chemistry

|February 28, 2025

Summary

Erbium vanadate (ErVO4) transforms from zircon to scheelite structure at 7.9 GPa. This study precisely maps its structural changes and mechanical properties under high pressure, revealing no phase coexistence or predicted transitions.

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Published on: June 18, 2020

Area of Science:

Solid-state chemistry
Materials science
Crystallography

Background:

Understanding the high-pressure behavior of rare-earth vanadates is crucial for materials science.
Erbium vanadate (ErVO4) is a material with potential applications influenced by its structural phase transitions.

Purpose of the Study:

To investigate the crystal structure evolution of ErVO4 under variable pressure.
To precisely determine the phase transition pressure and equation of state.
To investigate mechanical properties and compare experimental findings with theoretical predictions.

Main Methods:

High-pressure single-crystal X-ray diffraction using helium as a pressure medium.
Structure refinements up to 24.1 GPa.
Density-functional theory calculations for mechanical properties.

Main Results:

Observed a phase transition from zircon to scheelite structure at 7.9(1) GPa.
No evidence of phase coexistence was detected, contrary to some previous reports.
Determined precise linear compressibility and pressure-volume equation of state for both phases.
Calculated mechanical properties using density-functional theory.

Conclusions:

The zircon-to-scheelite transition in ErVO4 occurs at 7.9 GPa without phase coexistence.
Experimental results provide accurate data on compressibility and equation of state.
Discrepancies with theoretical predictions regarding secondary phase transitions were noted.