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Theoretical predictions for low-temperature phases, softening of phonons and elastic stiffnesses, and electronic properties of sodium peroxide under high pressure
High-pressure phase stabilities up to 600 K and the related properties of Na(2)O(2) under pressures up to 300 GPa were investigated using first-principles calculations and the quasi-harmonic approximation. Two high-pressure phases of Na(2)O(2) that are thermodynamically and dynamically stable were p...
| Autores principales: | , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
The Royal Society of Chemistry
2019
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9072567/ https://www.ncbi.nlm.nih.gov/pubmed/35529358 http://dx.doi.org/10.1039/c9ra03735g |