Phonon lifetimes and mode softening in cubic Cs2AgBiBr6
<h2>Summary</h2> Metal halide perovskites (MHPs) have emerged as noteworthy candidates for photovoltaic applications in recent years. Their high power-conversion efficiency is largely attributed to the structure-function relationship, which is not well understood. In this study, we examine the low-frequency phonons of the double perovskite <mml:math><mml:mrow><mml:mrow>Cs</mml:mrow><mml:mn>2</mml:mn>AgBiBr<mml:mn>6</mml:mn></mml:mrow></mml:math> using neutron inelastic scattering. We find that the acoustic phonon lifetimes decrease from 16 to 3 ps along <mml:math><mml:mrow><mml:mi>Γ</mml:mi></mml:mrow></mml:math> to <mml:math><mml:mrow><mml:mi>X</mml:mi></mml:mrow></mml:math>, which is indicative of significant anharmonicity that contributes to the ultralow thermal conductivity. Additionally, we observe a linear temperature dependence of the square of the zone-center soft optical phonon energy, which is consistent with a weakly first-order displacive cubic-tetragonal structural phase transition. These results provide a deeper understanding of the lattice dynamics and phase transitions in MHPs as well as the effects of anharmonicity by comparison with prototypical hybrid organic-inorganic MHPs, (<mml:math><mml:mrow>CH<mml:mn>3</mml:mn>NH<mml:mn>3</mml:mn></mml:mrow></mml:math>) <mml:math><mml:mrow><mml:mrow>PbX</mml:mrow><mml:mn>3</mml:mn></mml:mrow></mml:math> (X = Br, I).
Authors
- Johan Klarbring (ORCID: https://orcid.org/0000-0002-6223-5812)
- J. A. Rodriguez‐Rivera (ORCID: https://orcid.org/0000-0002-8633-8314)
- P. M. Gehring (ORCID: https://orcid.org/0000-0002-9236-2046)
- Michael F. Toney (ORCID: https://orcid.org/0000-0002-7513-1166)
- Julian A. Vigil (ORCID: https://orcid.org/0000-0002-0205-2379)
- Tao Hong (ORCID: https://orcid.org/0000-0002-0161-8588)
- Nicholas J. Weadock (ORCID: https://orcid.org/0000-0002-1178-7641)
- Adam H. Slavney (ORCID: https://orcid.org/0000-0002-2880-4081)
- Hemamala I. Karunadasa (ORCID: https://orcid.org/0000-0003-4949-8068)
- Zihan Zhang (ORCID: https://orcid.org/0000-0001-5326-8308)
Institutions
- Linköping University (SE)
- Oak Ridge National Laboratory (US)
- National Institute of Standards and Technology (US)
- University of Colorado Boulder (US)
- SLAC National Accelerator Laboratory (US)
- NIST Center for Neutron Research (US)
- University of Maryland, College Park (US)
- Stanford University (US)
Publication Details
- Journal
- Newton
- Published
- 2025-05-09
- DOI
- https://doi.org/10.1016/j.newton.2025.100097
- Citations
- 2
- Primary Topic
- Perovskite Materials and Applications
- Type
- article
- Field-Weighted Citation Impact
- 1.46
Funders
- National Science Foundation
- U.S. Department of Energy
- Center for Hybrid Organic Inorganic Semiconductors for Energy
- National Institute of Standards and Technology
- Office of Science
- Division of Materials Research
- Basic Energy Sciences
- Oak Ridge National Laboratory
- Division of Materials Sciences and Engineering