First-principles calculations of the epsilon phase of solid oxygen

The crystal, electronic and magnetic structures of solid oxygen in the epsilon phase have been investigated using the strongly constrained appropriately normed (SCAN) + rVV10 method and the generalized gradient approximation (GGA) + vdW-D + U method. The spin-polarized SCAN + rVV10 method with an 8-...

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Detalles Bibliográficos
Autores principales: Anh, Le The, Wada, Masahiro, Fukui, Hiroshi, Kawatsu, Tsutomu, Iitaka, Toshiaki
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2019
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6584638/
https://www.ncbi.nlm.nih.gov/pubmed/31217544
http://dx.doi.org/10.1038/s41598-019-45314-9

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6584638/
https://www.ncbi.nlm.nih.gov/pubmed/31217544
http://dx.doi.org/10.1038/s41598-019-45314-9

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