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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...
| Autores principales: | , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
MDPI
2018
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| Materias: | |
| 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 |