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Pressure Effects on 3d(n) (n=4, 9) Insulating Compounds: Long Axis Switch in Na(3)MnF(6) not Due to the Jahn‐Teller Effect

The pressure‐induced switch of the long axis of MnF(6) (3−) units in the monoclinic Na(3)MnF(6) compound and Mn(3+)‐doped Na(3)FeF(6) is explored with the help of first principles calculations. Although the switch phenomenon is usually related to the Jahn‐Teller effect, we show that, due to symmetry...

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Detalles Bibliográficos
Autores principales:	Sánchez‐Movellán, Inés, Carrasco‐Busturia, David, García‐Lastra, Juan M., García‐Fernández, Pablo, Aramburu, José A., Moreno, Miguel
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	John Wiley and Sons Inc. 2022
Materias:	Research Articles
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9401062/ https://www.ncbi.nlm.nih.gov/pubmed/35638136 http://dx.doi.org/10.1002/chem.202200948

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