56 citations · 100 across the 5 of their papers we have counts for
5 papers
Self-Consistent Phonon Spectral Functions and Thermal Transport Beyond the Quasiparticle Approximation
Yi Xia
Anharmonic lattice dynamics shapes phonon spectra and thermal transport, yet first-principles linewidth calculations typically assume phonon quasiparticles with sharply defined fre…
A Unified Understanding of Minimum Lattice Thermal Conductivity
Yi Xia, Dale Gaines, Jiangang He +4
We propose a first-principles model of minimum lattice thermal conductivity () based on a unified theoretical treatment of thermal transport in crystals and gl…
The role of high-order anharmonicity and off-diagonal terms in thermal conductivity: a case study of multi-phase CsPbBr3
Xiaoying Wang, Zhibin Gao, Guimei Zhu +6
We investigate the influence of three- and four-phonon scattering, perturbative anharmonic phonon renormalization, and off-diagonal terms of coherent phonons on the thermal conduct…
Scale-invariant Machine-learning Model Accelerates the Discovery of Quaternary Chalcogenides with Ultralow Lattice Thermal Conductivity
Koushik Pal, Cheol Woo Park, Yi Xia +2
Intrinsically low lattice thermal conductivity () is a desired requirement in many crystalline solids such as thermal barrier coatings and thermoelectrics. Here, we design an…
Optimal Band Structure for Thermoelectrics with Realistic Scattering and Bands
Junsoo Park, Yi Xia, Vidvuds Ozoliņš +1
Understanding how to optimize electronic band structures for thermoelectrics is a topic of long-standing interest in the community. Prior models have been limited to simplified ban…