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Electronic, optical and sodium K edge XANES in disodium helide: a DFT study

The ground-state properties of the disodium helide (Na(2)He) in the cubic structure was calculated using the WIEN2k package within GGA, LDA, and mBJ potentials. From our results, the GGA and LDA predict the material to be semiconductor, while mBJ predicts the material to be insulator. The calculated...

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Detalles Bibliográficos
Autor principal:	Eithiraj, R. D.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Nature Publishing Group UK 2023
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10562366/ https://www.ncbi.nlm.nih.gov/pubmed/37814105 http://dx.doi.org/10.1038/s41598-023-44369-z

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