Prevalence of pretransition disordering in the rutile-to-
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 phase transition of 
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Smith, G. Alexander; Schacher, Daniel; Hinton, Jasmine K.; Sneed, Daniel; Park, Changyong; Petitgirard, Sylvain; Lawler, Keith V.; Salamat, Ashkan

doi:10.1103/physrevb.104.134107

Cited by 2 publications

(1 citation statement)

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“…Similarly, we have recently observed drastic changes to electronic properties in binary oxide materials which result from perturbations of oxygen atomic positions within well-known structures. In rutile-type SnO2 [9] and GeO2 [10] slight displacement of oxygen atoms—facilitated by softening librational lattice mode inherent to the rutile structure—can cause spontaneous band gap closure which, in the case of SnO2 corresponds to an increase in electrical conductivity spanning four orders of magnitude. In well-known structures of binary oxides, pressure can thus induce anion disorder, generating polarons which contribute to the electronic band structure with such great effect as to change the bulk properties of the materials.…”

Section: Introductionmentioning

confidence: 99%

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

Sneed,

Smith,

Kearney

et al. 2023

Phil. Trans. R. Soc. A.

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We have analysed SnO 2 with a combination of synchrotron X-ray diffraction and X-ray absorption spectroscopy across a pressure range of 0 → 82.9 GPa with thermal annealing by a CO 2 laser allowing access to all of the known high-density polymorphs of SnO 2 , and here report their crystallographic information. The metastability of the post-rutile α - PbO 2 and PdF 2 structures in SnO 2 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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