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A DFT-Based Quantitative and Geometric Analysis of the Effect of Pressure on Boron Arsenate
Boron arsenate, BAsO(4), is a β-cristobalite-like crystal which has been reported to exhibit the rather unusual property of negative linear compressibility behaviour at elevated pressures, that is expanding rather than shrinking in a linear dimension when subjected to pressure. This work proposes a...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
MDPI
2022
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9318131/ https://www.ncbi.nlm.nih.gov/pubmed/35888325 http://dx.doi.org/10.3390/ma15144858 |