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    Pressure effects on NaMnF4: Structural correlations and Jahn-Teller effect from crystal-field spectroscopy

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    PRB_67_205101-2003-P ... (218.8Kb)
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    URI: http://hdl.handle.net/10902/505
    DOI: 10.1103/PhysRevB.67.205101
    ISSN: 1098-0121
    ISSN: 1550-235X
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    Author
    Aguado Menéndez, FernandoAutoridad Unican; Rodríguez González, FernandoAutoridad Unican; Núñez, Pedro
    Date
    2003-05
    Derechos
    © The American Physical Society
    Publicado en
    Physical Review. B, Condensed Matter and Materials Physics, vol.67, article number 205101, 2003
    Publisher
    American Physical Society
    Enlace a la publicación
    http://dx.doi.org/10.1103/PhysRevB.67.205101
    Abstract:
    This work investigates the optical absorption spectrum of the NaMnF4-layered perovskite and its variation with pressure. The spectrum basically consists of three broadbands located at 1.916, 2.263, and 2.817 eV, which correspond to the crystal-field (CF) transitions 5B1g⃗5Γi (Γi=A1g, B2g, and Eg) with the Jahn-Teller- (JT-) distorted MnF63- complex (Mn3+ d4 configuration). In addition, there are two spin-flip 5B1g⃗3B1g peaks at 2.397 and 2.890 eV, which are activated by the exchange mechanism. Their variation with pressure reveals that the JT energy does not change significantly with pressure: ∂EJT/∂P=0.8 meV/GPa. Furthermore, the variation of the JT tetragonal splitting of the parent octahedral eg and t2g, termed Δe and Δt, respectively, clearly indicate that ∂Δe/∂P≪∂Δt/∂P, although Δe≈4Δt. The CF energies and their pressure shift are explained in terms of local structural changes within the MnF63- complex induced by pressure. The structural correlation analysis reveals that the reduction of the MnF63- JT distortion is smaller than the expected one on the basis of the crystal volume reduction, thus indicating tilt phenomena. This interpretation is supported by the decrease of in-layer Mn-F-Mn superexchange, such as is derived from the optical spectra. We demonstrate that the equatorial and axial distances decrease from 1.839 to 1.808 Å and from 2.167 to 2.107 Å, respectively, in the 0–10 GPa range.
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    UNIVERSIDAD DE CANTABRIA

    Repositorio realizado por la Biblioteca Universitaria utilizando DSpace software
    Contact Us | Send Feedback
    Metadatos sujetos a:licencia de Creative Commons Reconocimiento 3.0 España