Cargando…
Phonon mode potential and its contribution to anharmonism
We present systematic ab-initio study on the phonon mode potential as a source of anharmonicity in the crystal. As an example, the transverse optical (TO) mode potential in PbTe has been fitted to density-functional-theory calculated energies of phonons excited with different amplitudes of mode disp...
| Autores principales: | , , |
|---|---|
| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Nature Publishing Group UK
2020
|
| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7666162/ https://www.ncbi.nlm.nih.gov/pubmed/33188242 http://dx.doi.org/10.1038/s41598-020-76454-y |