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Disorder by Design: Unveiling Local Structure and Functional Insights in High Entropy Oxides

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arxiv 2506.12888 v1 pith:XC2LHMTA submitted 2025-06-15 cond-mat.mtrl-sci

Disorder by Design: Unveiling Local Structure and Functional Insights in High Entropy Oxides

classification cond-mat.mtrl-sci
keywords disorderentropylocaldesignhighinsightsoxidesstructural
verification ladder T0 review T1 audit T2 compute T3 formal T4 reserved
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High entropy oxides (HEOs) are a rapidly growing class of compositionally complex ceramics in which configurational disorder is engineered to unlock novel functionality. While average crystallographic symmetry is often retained, local structural and chemical disorder, including cation size and valence mismatch, oxygen sublattice distortions, and site-specific bonding, strongly governs ionic transport, redox behavior, magnetic ordering, and dielectric response. This review outlines how these modes of disorder manifest across key oxide families such as rock salt, spinel, fluorite, and perovskite. We highlight recent advances in spectroscopy, total scattering, and high-resolution microscopy enable multi-scale insight into short- and intermediate-range order. By integrating experimental observations with theoretical modeling of entropy and local energetics, we establish a framework linking structural heterogeneity to emergent properties. These insights not only deepen our fundamental understanding of disorder-property relationships but also offer a path toward rational design of tunable materials for catalysis, energy storage, electronics, and much more.

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