Showing cond-mat.mtrl-sciShow all
3 papers · 1 filter
cond-mat.mtrl-sci2025
Correlation Matrix Method for Phonon Quasiparticles
Wenjing Li, Yong Lu, Fawei Zheng
Phonon anharmonicity is ubiquitous in real materials and is crucial for understanding thermal properties and phase stability. In this work, we show that anharmonic phonon modes can…
cond-mat.mtrl-sci2024
Lattice thermal conductivity of ZrSe2 based on the anharmonic phonon approach and on-the-fly machine learning force fields
Yong Lu, Fawei Zheng
The lattice thermal conductivity (LTC) of ZrSe, a typical layered transition metal disulfide, has been calculated using a hybrid approach that combines force field molecular dy…
cond-mat.mtrl-sci2024
Spin-Lattice Coupling Induced Rich Magnetic States in CrF monolayer
Fawei Zheng, Yong Lu
We systematically studied the spin-lattice couplings in the CrF monolayer. Our study reveals that the spin exchange constants between the nearest neighbors are notably affected…