Colossal pressure-induced softening in scandium fluoride

Abstract

The counter-intuitive phenomenon of pressure-induced softening in materials is likely to be caused by the same dynamical behaviour that produces negative thermal expansion. Through a combination of molecular dynamics simulation on an idealised model and neutron diffraction at variable temperature and pressure, we show the existence of extraordinary and unprecedented pressure-induced softening in the negative thermal expansion material scandium fluoride, ScF${}_3$, with values of the pressure-derivative of the bulk modulus $B$, $B^{\prime }=\partial B/\partial P$, reaching as low as $-40\pm 1$.

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Cited by in corpus (5)

• Quantitative understanding of negative thermal expansion in scandium trifluoride from neutron total scattering measurements
• Origin of negative thermal expansion and pressure induced amorphization in zirconium tungstate from machine-learning potential
• Electronic Structure and Core Spectroscopy of Scandium Fluoride Polymorphs
• Comment on "Colossal Pressure-Induced Softening in Scandium Fluoride"
• Anomalous pressure dependence of the bulk modulus and Yb valence in cubic YbPd