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, ScF3_3, with values of the pressure-derivative of the bulk modulus BB, B′=∂B/∂PB^\prime = \partial B / \partial P, reaching as low as −40±1-40 \pm 1.

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