Electronic, Optical, and Lattice Dynamical Properties of Tetracalcium Trialuminate (Ca(4)Al(6)O(13))

The electronic, optical, and lattice dynamical properties of tetracalcium trialuminate (Ca(4)Al(6)O(13)) with a special sodalite cage structure were calculated based on the density functional theory. Theoretical results show that Ca(4)Al(6)O(13) is ductile and weakly anisotropic. The calculated Youn...

Descripción completa

Detalles Bibliográficos
Autores principales: Mei, Huayue, Zhong, Yuhan, Wang, Peida, Jia, Zhenyuan, Li, Chunmei, Cheng, Nanpu
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2018
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5873028/
https://www.ncbi.nlm.nih.gov/pubmed/29562702
http://dx.doi.org/10.3390/ma11030449

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5873028/
https://www.ncbi.nlm.nih.gov/pubmed/29562702
http://dx.doi.org/10.3390/ma11030449

Ejemplares similares