Cargando…
Quantitative prediction of CeO(2) and LaAlO(3) infrared spectra based on first-principles calculations
Oxide crystals with specific infrared spectra are widely used in the optical energy industry. Conventional density functional theory calculations reveal various properties of oxide crystals, including their electronic band structure, electronic density of states, vibrational modes, phonon band struc...
| Autores principales: | , , , |
|---|---|
| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
The Royal Society of Chemistry
2022
|
| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9400633/ https://www.ncbi.nlm.nih.gov/pubmed/36093253 http://dx.doi.org/10.1039/d2ra03539a |