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A first-principles investigation of the linear thermal expansion coefficients of BeF(2): giant thermal expansion
We present the results of a theoretical investigation of the linear thermal expansion coefficients (TECs) of BeF(2), within a direct Grüneisen formalism where symmetry-preserving deformations are employed. The required physical quantities such as the optimized crystal structures, elastic constants,...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
The Royal Society of Chemistry
2022
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9486174/ https://www.ncbi.nlm.nih.gov/pubmed/36275151 http://dx.doi.org/10.1039/d2ra04860d |