Data from the electronic band structures of several Zintl phases with group 15 elements and the transition metals

Electronic band structures of the following compounds – Cs(4)Cd(As(7))(2), K(2)PdP(2), K(5)CuAs(2), Na(2)CuP and K(3)Cu(3)P(2) – all computed by means of the TB-LMTO-ASA code. The calculations show that for all compounds, the bonding states are occupied, while the antibonding orbitals are vacant. Th...

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Detalles Bibliográficos
Autores principales: Ovchinnikov, Alexander, Bobev, Svilen
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier 2018
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6312832/
https://www.ncbi.nlm.nih.gov/pubmed/30619921
http://dx.doi.org/10.1016/j.dib.2018.12.040

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6312832/
https://www.ncbi.nlm.nih.gov/pubmed/30619921
http://dx.doi.org/10.1016/j.dib.2018.12.040

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