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cond-mat.mtrl-sci2025★ 2 cited
Lattice Thermal Transport Beyond the Quasiparticle Approximation: Nontrivial Spectral Competition between Three- and Four-Phonon Interactions
Yi Xia
The breakdown of the quasiparticle approximation (QPA) for phonons in strongly anharmonic materials necessitates advanced first-principles frameworks for accurate lattice dynamics…
cond-mat.mtrl-sci2025
Origin of Glass-like Thermal Conductivity in Crystalline TlAgTe
Shantanu Semwal, Yi Xia, Chris Wolverton +1
Ordered crystalline compounds exhibiting ultralow and glass-like thermal conductivity are both fundamentally and technologically important, where phonon quasi-particles dominate th…
cond-mat.mtrl-sci2025
High-throughput computational framework for lattice dynamics and thermal transport including high-order anharmonicity: an application to cubic and tetragonal inorganic compounds
Zhi Li, Huiju Lee, Chris Wolverton +1
Accurately predicting lattice thermal conductivity (kL) from first principles remains a challenge in identifying materials with extreme thermal behavior. While modern lattice dynam…