Glass-like Transport Dominates Ultralow Lattice Thermal Conductivity in Modular Crystalline Bi4O4SeCl2.
Nano Lett
; 23(20): 9468-9473, 2023 Oct 25.
Article
en En
| MEDLINE
| ID: mdl-37830499
ABSTRACT
Crystalline Bi4O4SeCl2 exhibits record-low 0.1 W/mK lattice thermal conductivity (κL), but the underlying transport mechanism is not yet understood. Using a theoretical framework which incorporates first-principles anharmonic lattice dynamics into a unified heat transport theory, we compute both the particle-like and glass-like components of κL in crystalline and pellet Bi4O4SeCl2 forms. The model includes intrinsic three- and four-phonon scattering processes and extrinsic defect and extended defect scattering contributing to the phonon lifetime, as well as temperature-dependent interatomic force constants linked to phonon frequency shifts and anharmonicity. Bi4O4SeCl2 displays strongly anisotropic complex crystal behavior with dominant glass-like transport along the cross-plane direction. The uncovered origin of κL underscores an intrinsic approach for designing extremely low κL materials.
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Colección:
01-internacional
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MEDLINE
Idioma:
En
Revista:
Nano Lett
Año:
2023
Tipo del documento:
Article
País de afiliación:
China