Spectroscopy of La 0.5 Sr 1.5 MnO 4 orbital ordering: a cluster many-body calculation

A. Mirone (), S. S. Dhesi and G. van der Laan

The European Physical Journal B: Condensed Matter and Complex Systems, 2006, vol. 53, issue 1, 23-28

Abstract: Orbital ordering (OO) in La 0.5 Sr 1.5 MnO 4 has been studied using soft X-ray resonant diffraction (SXRD) at the Mn L 2,3 edges in combination with many-body cluster calculations. The SXRD intensity is modelled in second quantization using a small planar cluster consisting of a central active Mn site with first-neighbour shells comprising O and Mn sites. The effective Hamiltonian includes Slater-Koster parameters and charge transfer and electron correlation energies obtained from previous measurements on manganites. The energy dependence of the SXRD OO peak is calculated using the Jahn-Teller distortions of the oxygen octahedra and in-plane spin correlations as adjustable parameters. These contributions are clearly distinguished above the Néel temperature with a good spectroscopic agreement. The results also suggest a significant charge separation between the Mn sites. Copyright EDP Sciences/Società Italiana di Fisica/Springer-Verlag 2006

Keywords: 61.10.-i X-ray diffraction and scattering; 71.30.+h Metal-insulator transitions and other electronic transitions; 71.10.-w Theories and models of many-electron systems; 78.20.Bh Theory; models; and numerical simulation (search for similar items in EconPapers)
Date: 2006
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DOI: 10.1140/epjb/e2006-00340-5

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