Dynamic tilting in perovskites

A new computational analysis of tilt behaviour in perovskites is presented. This includes the development of a computational program – PALAMEDES – to extract tilt angles and the tilt phase from molecular dynamics simulations. The results are used to generate simulated selected-area electron and neut...

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Detalles Bibliográficos
Autores principales: Handley, Christopher M., Ward, Robyn E., Freeman, Colin L., Reaney, Ian M., Sinclair, Derek C., Harding, John H.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2023
Materias:
Research Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9979940/
https://www.ncbi.nlm.nih.gov/pubmed/36862041
http://dx.doi.org/10.1107/S2053273322011949

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9979940/
https://www.ncbi.nlm.nih.gov/pubmed/36862041
http://dx.doi.org/10.1107/S2053273322011949

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