Artículo
Local structure and magnetic properties of Mn3+–O–Fe3+ superexchange interaction in an oxygen-vacant perovskite: Experimental and theoretical study
Romero, Mariano; Faccio, Ricardo; Pardo, Helena; Montenegro, Benjamín; Richard, Diego
; Martínez, Javier; Mudarra Navarro, Azucena Marisol
; Mombrú, Alvaro W.
Fecha de publicación:
01/2019
Editorial:
Elsevier Science
Revista:
Journal of Magnetism and Magnetic Materials
ISSN:
0304-8853
Idioma:
Inglés
Tipo de recurso:
Artículo publicado
Clasificación temática:
Resumen
In this work we report an experimental and theoretical study on the local structure and magnetic properties of Mn3+–O–Fe3+ superexchange interaction for an oxygen-vacant perovskite PrBaMnFeO5+ δ with δ ∼ 0.5. Structural studies were performed by high resolution X-Ray diffraction technique in normal and anomalous scattering, modeled using an orthorhombic biphasic system corresponding to an oxygen-rich and oxygen-poor stoichiometries. Mössbauer spectroscopy showed the presence of two orthorhombic iron sites, one ascribed to a fully octahedral coordination and another, highly distorted, ascribed to a pyramidal coordination, in full agreement with theoretical DFT + U + SO calculations. The samples showed a spin-glass transition at ∼20 K and mainly the presence of Mn3+–O–Fe3+ type-G antiferromagnetic superexchange interactions. However, our theoretical calculations using first principles also suggested that the presence of oxygen vacancies in certain conditions could be possibly promoting local ferromagnetic interactions.
Palabras clave:
DFT
,
MOSSBAUER
,
OXYGEN VACANCIES
,
PEROVSKITE
,
X-RAY ANOMALOUS DIFFRACTION
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Articulos(IFLP)
Articulos de INST.DE FISICA LA PLATA
Articulos de INST.DE FISICA LA PLATA
Citación
Romero, Mariano; Faccio, Ricardo; Pardo, Helena; Montenegro, Benjamín; Richard, Diego; et al.; Local structure and magnetic properties of Mn3+–O–Fe3+ superexchange interaction in an oxygen-vacant perovskite: Experimental and theoretical study; Elsevier Science; Journal of Magnetism and Magnetic Materials; 469; 1-2019; 224-230
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