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O1s and Mn2p NEXAFS on single-layered La1-xSr1+xMnO4: crystal field effect versus orbital coupling mechanism
Authors:M Merz  P Reutler  B Büchner  D Arena  J Dvorak  Y U Idzerda  S Tokumitsu  S Schuppler
Institution:1. Institut für Kristallographie, J?gerstra?e 17-19, RWTH Aachen, 52066, Aachen, Germany
2. Institute for Solid State Research, P.O. Box 270116, IFW Dresden, 01171, Dresden, Germany
3. Naval Research Laboratory, Code 6345, Washington, DC, 20375, USA
4. Department of Physics, Montana State University, Bozeman, MT, 59717-3840, USA
5. Forschungszentrum Karlsruhe, Institut für Festk?rperphysik, 76021, Karlsruhe, Germany
Abstract:O1s and Mn2p near-edge X-ray absorption spectroscopy on La1-xSr1+xMnO4 (0 ≤x ≤0.5) single crystals shows that Sr doping does not only provide holes to the system but also induces a continuous transfer of electrons from out-of-plane d3z2-r2 to in-plane d3x2-r2/d3y2-r2 orbitals. Furthermore, a non-vanishing electron occupation of in-plane dx2-y2 and out-of-plane d3z2-r2 orbitals is observed up to relatively high doping contents. These findings demonstrate that the energy difference between all these orbital types has to be very small and manifest that the orbital degree of freedom is determined not just by crystal field effects but also by orbital coupling. Moreover, the doping-dependent transfer of spectral weight observed in the current data identifies La1-xSr1+xMnO4 as a charge-transfer insulator.
Keywords:74  25  Jb Electronic structure  74  62  Dh Effects of crystal defects  doping and substitution  78  70  Dm X-ray absorption spectra
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