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Atomic and electronic structure of solids of Ge(2)Br(2)PN, Ge(2)I(2)PN, Sn(2)Cl(2)PN, Sn(2)Br(2)PN and Sn(2)I(2)PN inorganic double helices: a first principles study
We report the results of density functional theory calculations on the atomic and electronic structure of solids formed by assembling A(2)B(2)PN (A = Ge and Sn, B = Cl, Br, and I) inorganic double helices. The calculations have been performed using a generalized gradient approximation for the exchan...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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The Royal Society of Chemistry
2020
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9052028/ https://www.ncbi.nlm.nih.gov/pubmed/35497117 http://dx.doi.org/10.1039/d0ra02007a |