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Data on A parametric temperature dependent potential for β-PbF(2): A numerical investigation by molecular dynamics
This article presents the data on a parametric temperature dependent potential for β-PbF(2) using molecular dynamics (MD) simulations in the rigid ion approach. The β-PbF(2) is an important ionic conductor that exhibit a super ionic behavior at 711 K. The understanding of the temperature effect in i...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Elsevier
2019
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6909252/ https://www.ncbi.nlm.nih.gov/pubmed/31872003 http://dx.doi.org/10.1016/j.dib.2019.104865 |