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...

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Detalles Bibliográficos
Autores principales: Jimlim, Pornmongkol, Tsuppayakorn-aek, Prutthipong, Pakornchote, Teerachote, Ektarawong, Annop, Pinsook, Udomsilp, Bovornratanaraks, Thiti
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2019
Materias:
Chemistry
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

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9072567/
https://www.ncbi.nlm.nih.gov/pubmed/35529358
http://dx.doi.org/10.1039/c9ra03735g

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