Supplementary Information for Electron-induced nonmonotonic pressure dependence of the lattice thermal conductivity of θ -TaN
Supplemental Material included detailed information, including computational details, convergence testing of k_ph relative to the cutoff for third-order IFCs, fine grid size used for calculating phonon-electron scattering rates, lattice parameters, temperature-dependent contributions to thermal cond...
| Autores: | , , , , , , , |
|---|---|
| Tipo de recurso: | conjunto de datos |
| Fecha de publicación: | 2024 |
| País: | España |
| Institución: | Consejo Superior de Investigaciones Científicas (CSIC) |
| Repositorio: | DIGITAL.CSIC. Repositorio Institucional del CSIC |
| OAI Identifier: | oai:digital.csic.es:10261/350967 |
| Acceso en línea: | http://hdl.handle.net/10261/350967 |
| Access Level: | acceso abierto |
| Sumario: | Supplemental Material included detailed information, including computational details, convergence testing of k_ph relative to the cutoff for third-order IFCs, fine grid size used for calculating phonon-electron scattering rates, lattice parameters, temperature-dependent contributions to thermal conductivity, scaled phonon dispersion, phonon renormalization, process-specific scattering rates and spectral contributions, weighted phase space, phonon-electron scattering rates, electronic band structures, and Fermi surfaces for different pressures. |
|---|