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A self-consistent approach to describe unit-cell-parameter and volume variations with pressure and temperature
A method for the self-consistent description of the large variations of unit-cell parameters of crystals with pressure and temperature is presented. It employs linearized versions of equations of state (EoSs) together with constraints to ensure internal consistency. The use of polynomial functions t...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
International Union of Crystallography
2021
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8662967/ https://www.ncbi.nlm.nih.gov/pubmed/34963762 http://dx.doi.org/10.1107/S1600576721009092 |