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- Journal Article
Charge disproportionation transitions in complex oxides most commonly link high-temperature phases containing identical cations with the same oxidation state and crystallographic site, to low-temperature phases in which charge transfer between these ions results in unequal oxidation states. Here we propose, based on density functional calculations, a related concept that we term heteronuclear charge disproportionation, in which charge transfer occurs between different elements on different crystallographic sites. We show for the case of EuMnO3 that such a transition from the experimentally observed Eu3+Mn3+O3 phase to the, so far, unknown Eu2+Mn4+O3 phase can be triggered by pressure and epitaxial strain. We then identify measurable signatures to aid in an experimental exploration of the complex pressure- and biaxial strain-dependent phase stability of EuMnO3 that we hope to motivate with our predictions. We suggest other candidate crystal chemistries for heteronuclear charge disproportionation, in which novel physics could emerge from the coexistence of instabilities. Show more
Journal / seriesPhysical Review Materials
PublisherAMER PHYSICAL SOC
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