期刊
出版社
ROYAL SOC
DOI: 10.1098/rsta.2022.0346
关键词
high-pressure; metastability; phase transitions
In this study, SnO2 was analyzed using a combination of synchrotron X-ray diffraction and X-ray absorption spectroscopy across a pressure range of 0 to 82.9 GPa. By utilizing thermal annealing with a CO2 laser, access to all known high-density polymorphs of SnO2 was achieved and their crystallographic information was reported. The metastability of the post-rutile α-PbO2 and PdF2 structures in SnO2 was investigated through experiments and PW-DFT simulations, revealing a complex energetic landscape and suggesting a significant dependence on the pressure-temperature pathway taken in the experiment.
We have analysed SnO2 with a combination of synchrotron X-ray diffraction and X-ray absorption spectroscopy across a pressure range of 0 & RARR;82.9 GPa with thermal annealing by a CO2 laser allowing access to all of the known high-density polymorphs of SnO2, and here report their crystallographic information. The metastability of the post-rutile & alpha;-PbO2 and PdF2 structures in SnO2 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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