BUSCADOR RECOLECTA

Digital.CSIC. Repositorio Institucional del CSIC

oai:digital.csic.es:10261/356356

1. Computational details 2. Phonon dispersion curves of the fourteen skutterudite-like MP3 compounds 3. Band structures of the skutterudite-like YP3 and LaP3 4. The PDOS of the stable skutterudite-like MP3 compounds 5. The crystal structures of skutterudite-like CeP3 and hypothetical skutterudite-like Ce0P3 model 6. The electronic band structures of the hypothetical skutterudite-like Ce0P3 and Ce0S3 at 0 GPa 7. The Fermi surfaces of skutterudite-like CeP3 at 0 GPa 8. The projected electronic band structures of the three bands crossing the Fermi Level of skutterudite-like CeP3 at 0 GPa 9. The convex hull of Ce-P compounds at 25 GPa 10. The transition barrier required to revert the skutterudite-like CeP3 to the conventional skutterudite-type CeP3 at 0 GPa 11. The relative enthalpies of the proposed skutterudite-like CeP3 with respect to the binary Ce-P compounds and elemental solids Ce and P at 0 GPa 12. Structural information of the proposed skutterudite-like CeP3 phase 13. Superconducting parameters of the proposed skutterudite-like CeP3 phase at 0 and 25 GPa 14. References, Peer reviewed