Cargando…
The effect of long-range interactions on the infrared and Raman spectra of aragonite (CaCO(3), Pmcn) up to 25 GPa
Long-range interactions are relevant in the physical description of materials, even for those where other stronger bonds give the leading contributions. In this work, we demonstrate this assertion by simulating the infrared and Raman spectra of aragonite, an important calcium carbonate polymorph (sp...
| Autores principales: | , |
|---|---|
| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Nature Publishing Group UK
2023
|
| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9932076/ https://www.ncbi.nlm.nih.gov/pubmed/36792773 http://dx.doi.org/10.1038/s41598-023-29783-7 |