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Stable and metastable structures of tin (IV) oxide at high pressure.

Daniel T SneedG Alexander SmithJohn S C KearneyChristian ChildsChangyong ParkKeith V LawlerAshkan SalamatDean Smith
Published in: Philosophical transactions. Series A, Mathematical, physical, and engineering sciences (2023)
We have analysed [Formula: see text] with a combination of synchrotron X-ray diffraction and X-ray absorption spectroscopy across a pressure range of [Formula: see text] GPa with thermal annealing by a [Formula: see text] laser allowing access to all of the known high-density polymorphs of [Formula: see text], and here report their crystallographic information. The metastability of the post-rutile [Formula: see text]-[Formula: see text] and [Formula: see text] structures in [Formula: see text] are investigated by experiment and PW-DFT simulations, revealing a complex energetic landscape and suggesting a significant dependence of the observed phases on the pressure-temperature pathway taken in experiment. This article is part of the theme issue 'Exploring the length scales, timescales and chemistry of challenging materials (Part 1)'.
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