ORBITAL ORDERING INLaMnO3: CLUSTER MODEL CALCULATION OF RESONANT X-RAY SCATTERING AND X-RAY ABSORPTION AT THE MnL2,3EDGE

M. Taguchi and M. Altarellli
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M. Taguchi: Abdus Salam International Centre for Theoretical Physics, PO Box 586, 34100 Trieste, Italy
M. Altarellli: Sincrotrone Trieste, Area Science Park, 34012 Basovizza, Trieste, Italy

Surface Review and Letters (SRL), 2002, vol. 09, issue 02, 1167-1171

Abstract: We report theoretical results for resonant X-ray scattering (RXS) and linear dichroism (LD) in X-ray absorption spectra at the MnL2,3edge inLaMnO3, with special attention to the observation of orbital ordering. Calculations were performed on a(MnO6)10-cluster withD4hsymmetry, including the effect of intra-atomic multiplet coupling in the Mn ion. Anisotropy effects are also included, through the anisotropic Mn3d–O2phybridization and crystal field parameters for Mn3dstates. The agreement between theory and experiment is good. Moreover, we show that the intensity of the peaks at theL3edge are strongly dependent on the Jahn–Teller distortion, while the peaks at theL2edge are mostly related to the orbital ordering.

Date: 2002
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DOI: 10.1142/S0218625X02003469

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