AI Article Synopsis
- The study examines lattice vibrations and thermal transport in CsSnI, a type of double perovskite with a specific atomic arrangement.
- The presence of two types of rattlers (Cs atoms and SnI6 clusters) significantly impacts heat transfer by scattering phonons.
- Researchers find that the unique atomic behaviors lead to very low thermal conductivity at room temperature due to strong anharmonic effects.
Article Abstract
We report a first-principles study of lattice vibrations and thermal transport in CsSnI, the vacancy-ordered double perovskite. Twofold rattlers of Cs atoms and SnI6 clusters in CsSnI, being different from CsSnI with only Cs atom rattlers, largely scatter heat-carrying acoustic phonons strongly coupled with low-lying optical phonons and lower phonon group velocity. Using renormalized phonon dispersions at finite temperatures, we reveal that anharmonicity and twofold rattling modes induce an ultralow thermal conductivity at room temperature.
Download full-text PDF |
Source |
|---|---|
| http://dx.doi.org/10.1039/d2cc00258b | DOI Listing |
Publication Analysis
Top Keywords
twofold rattling
8
ultralow thermal
8
thermal conductivity
8
vacancy-ordered double
8
double perovskite
8
rattling mode-induced
4
mode-induced ultralow
4
conductivity vacancy-ordered
4
cssni
4
perovskite cssni
4
Similar Publications
Want AI Summaries of new PubMed Abstracts delivered to your In-box?
Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!