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Dynamic disorder in Bi sub-lattice of $\delta$-Bi$_2$O$_3$

Materials Science 2022-05-27 v1

Abstract

δ\delta-Bi2_2O3_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 (α\alpha-Bi2_2O3_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.

Keywords

Cite

@article{arxiv.2205.13289,
  title  = {Dynamic disorder in Bi sub-lattice of $\delta$-Bi$_2$O$_3$},
  author = {Rituraj Sharma and Nimrod Benshalom and Maor Asher and Thomas M. Brenner and Anna Kossi and Omer Yaffe and Roman Korobko},
  journal= {arXiv preprint arXiv:2205.13289},
  year   = {2022}
}

Comments

4 pages, 4 figures