In-Plane Overdamping and Out-Plane Localized Vibration Contribute to Ultralow Lattice Thermal Conductivity of Zintl Phase KCdSb.

ABSTRACT: Zintl phases typically exhibit low lattice thermal conductivity, which are extensively investigated as promising thermoelectric candidates. While the significance of Zintl anionic frameworks in electronic transport properties is widely recognized, their roles in thermal transport properties have often been overlooked. This study delves into KCdSb as a representative case, where the [CdSb_4/4]^- tetrahedrons not only impact charge transfer but also phonon transport. The phonon velocity and mean free path, are heavily influenced by the bonding distance and strength of the Zintl anions Cd and Sb, considering the three acoustic branches arising from their vibrations. Furthermore, the weakly bound Zintl cation K exhibits localized vibration behaviors, resulting in strong cou

SUBMITTER: Guo K 

PROVIDER: S-EPMC11633356 | biostudies-literature | 2024 Sep

REPOSITORIES: biostudies-literature