Exotic Spectra and Lattice Vibrations of Ice X Using the DFT Method

A typical vibrational spectrum in the ice phase has four separate bands: Translation, libration, bending, and stretching. Ice X, the final ice phase under high pressure, shows an exotic vibrational spectrum. Based on harmonic approximation, an ideal crystal of ice X has one peak, at 998 cm(−1), for...

Descripción completa

Detalles Bibliográficos
Autores principales: Jiang, Lu, Yao, Shu-Kai, Zhang, Kai, Wang, Ze-Ren, Luo, Hui-Wen, Zhu, Xu-Liang, Gu, Yue, Zhang, Peng
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2018
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6278396/
https://www.ncbi.nlm.nih.gov/pubmed/30373183
http://dx.doi.org/10.3390/molecules23112780

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6278396/
https://www.ncbi.nlm.nih.gov/pubmed/30373183
http://dx.doi.org/10.3390/molecules23112780

Ejemplares similares