Efficiently and fast seeking specific lattices with targeted phonon thermal conductivityκ_(L)plays an important role in the thermal design and thermal management of materials.How to efficiently and accurately evaluat...Efficiently and fast seeking specific lattices with targeted phonon thermal conductivityκ_(L)plays an important role in the thermal design and thermal management of materials.How to efficiently and accurately evaluate the phonon lifetime determined by anharmonicity becomes a critical bottleneck when high-throughput measuring.Here,we propose a method of fast evaluating three-phonon scattering induced lifetime based on the many-body theory of phonon gas.In the high temperature limit,the phonon scattering rate is simply determined by the product of only two anharmonic parameters:the square of Grüneisen parameter and the phase space size of three-phonon scattering,both of which can be quickly derived from the harmonic phonon properties.We demonstrate the effectiveness of the method in high-throughput evaluatingκ_(L)the in firstprinciples calculation,which exhibits a good consistence with our collected experimental data.This method shows promising application potential in exploring material screening of the targetedκ_(L),which by improving the ability of characterizing phonon anharmonicity will further enhance the performanceκ_(L)of prediction.展开更多
基金support from the National Natural Science Foundation of China(Nos.11935010)the Natural Science Foundation of Shanghai(No.23ZR1481200)+2 种基金the Program of Shanghai Academic Research Leader(No.23XD1423800)the National Key R&D Program of China(Grant No.2022YFA1404400)the Opening Project of Shanghai Key Laboratory of Special Artificial Microstructure Materials and Technology.
文摘Efficiently and fast seeking specific lattices with targeted phonon thermal conductivityκ_(L)plays an important role in the thermal design and thermal management of materials.How to efficiently and accurately evaluate the phonon lifetime determined by anharmonicity becomes a critical bottleneck when high-throughput measuring.Here,we propose a method of fast evaluating three-phonon scattering induced lifetime based on the many-body theory of phonon gas.In the high temperature limit,the phonon scattering rate is simply determined by the product of only two anharmonic parameters:the square of Grüneisen parameter and the phase space size of three-phonon scattering,both of which can be quickly derived from the harmonic phonon properties.We demonstrate the effectiveness of the method in high-throughput evaluatingκ_(L)the in firstprinciples calculation,which exhibits a good consistence with our collected experimental data.This method shows promising application potential in exploring material screening of the targetedκ_(L),which by improving the ability of characterizing phonon anharmonicity will further enhance the performanceκ_(L)of prediction.
