MD-Raman calculations show that lithium sublattice dynamics, not individual normal modes, shape the Raman spectra of LLZO, with the 420 cm-1 peak marking the non-conductive tetragonal phase.
(24) Balaish, M.; Rupp, J
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Raman Signatures of Lithium Ion Dynamics in LLZO Garnet Electrolytes: Atomistic Insights from MD-Raman Calculations
MD-Raman calculations show that lithium sublattice dynamics, not individual normal modes, shape the Raman spectra of LLZO, with the 420 cm-1 peak marking the non-conductive tetragonal phase.