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Dynamic disorder in Bi sub-lattice of δ-Bi₂O₃

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arxiv 2205.13289 v1 pith:CP7OB4GG submitted 2022-05-26 cond-mat.mtrl-sci

Dynamic disorder in Bi sub-lattice of δ-Bi₂O₃

classification cond-mat.mtrl-sci
keywords ionsphasesub-latticecubicdeltameasurementsminimamonoclinic
verification ladder T0 review T1 audit T2 compute T3 formal T4 reserved
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$\delta$-Bi$_2$O$_3$ is one of the fastest known solid oxide ion conductors owing to its intrinsically defective fluorite-like structure with 25\% vacant sites in the O sub-lattice. Numerous diffraction measurements and molecular dynamics simulations indicate that the Bi ions construct a cubic, fcc lattice, and the O ions are %distributing and migrating through it. Nonetheless, in this study we present Raman scattering measurements that clearly show that the Bi sub-lattice preserves the monoclinic symmetry of the low temperature phase ($\alpha$-Bi$_2$O$_3$) up to the melting temperature of the crystal. The apparent contradiction between our observations and previous findings suggests that Bi ions oscillate between local minima of the effective potential energy surface. These minima represent the monoclinic phase while the time-averaged structure is the cubic phase. We discuss the implication of these low-frequency oscillations on ion conduction.

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