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ABSTRACT:
SUBMITTER: Brenner TM
PROVIDER: S-EPMC9251760 | biostudies-literature | 2022 Jun
REPOSITORIES: biostudies-literature
Brenner Thomas M TM Grumet Manuel M Till Paul P Asher Maor M Zeier Wolfgang G WG Egger David A DA Yaffe Omer O
The journal of physical chemistry letters 20220622 25
We employ terahertz-range temperature-dependent Raman spectroscopy and first-principles lattice dynamical calculations to show that the undoped sodium ion conductors Na<sub>3</sub>PS<sub>4</sub> and isostructural Na<sub>3</sub>PSe<sub>4</sub> both exhibit anharmonic lattice dynamics. The anharmonic effects in the compounds involve coupled host lattice-Na<sup>+</sup> ion dynamics that drive the tetragonal-to-cubic phase transition in both cases, but with a qualitative difference in the anharmonic ...[more]