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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...

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Detalles Bibliográficos
Autores principales: Bijoy, T. K., Murugan, P., Kumar, Vijay
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2020
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