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Jahn–Teller distortion in Sr(2)FeO(4): group-theoretical analysis and hybrid DFT calculations

We present theoretical justification for distorted Ruddlesden–Popper (RP) phases of the first-order by using hybrid density functional theory (DFT) calculations and group-theoretical analysis. We, thus, demonstrate the existence of the Jahn–Teller effect around an Fe[Formula: see text] ion in Sr[For...

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Detalles Bibliográficos
Autores principales:	Zvejnieks, Guntars, Mastrikov, Yuri, Gryaznov, Denis
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Nature Publishing Group UK 2023
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10542785/ https://www.ncbi.nlm.nih.gov/pubmed/37777629 http://dx.doi.org/10.1038/s41598-023-43381-7

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