Defining the Structural Stability Field of Disordered Fluorite Oxides

O’Quinn, Eric C.; Drey, Devon L.; Lang, Maik K.

doi:10.3389/fchem.2021.733718

Title: Defining the Structural Stability Field of Disordered Fluorite Oxides

Journal Article · 18 August 2021 · Frontiers in Chemistry

DOI: https://doi.org/10.3389/fchem.2021.733718 · OSTI ID:1814212

O’Quinn, Eric C.; Drey, Devon L.; Lang, Maik K.

Fluorite-structured oxides constitute an important class of materials for energy technologies. Despite their high level of structural symmetry and simplicity, these materials can accommodate atomic disorder without losing crystallinity, making them indispensable for uses in environments with high temperature, changing chemical compositions, or intense radiation fields. In this contribution, we present a set of simple rules that predict whether a compound may adopt a disordered fluorite structure. This approach is closely aligned with Pauling’s rules for ionic crystal structures and Goldschmidt’s rules for ionic substitution.

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Research Organization:: Univ. of Tennessee, Knoxville, TN (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: SC0020321

OSTI ID:: 1814212

Journal Information:: Frontiers in Chemistry, Journal Name: Frontiers in Chemistry Vol. 9; ISSN 2296-2646

Publisher:: Frontiers Media SACopyright Statement

Country of Publication:: Switzerland

Language:: English

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36 MATERIALS SCIENCE
Goldschmidt
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complex oxides
defects
fluorite
oxygen vacancy
structural stability

Title: Defining the Structural Stability Field of Disordered Fluorite Oxides

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References (47)

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