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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...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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Elsevier
2018
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| 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 |