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Interpretation of the pre-edge X-ray absorption fine structures in MnO

SYNCHROTRON TECHNOLOGY AND APPLICATIONS

Interpretation of the pre-edge X-ray absorption fine structures in MnO

LI Shu-Jun
HU Rong
HU Tian-Dou
XIE Ya-Ning
ZHANG Jing
TAO Ye
WU Zi-Yu
Nuclear Science and TechniquesVol.14, No.3pp.153-156Published in print 01 Aug 2003
27200

The weak pre-edge features in the Mn K-edge X-ray absorption near-edge structure (XANES) spectrum of manganese monoxide (MnO) were investigated by comparing experimental data with dipolar and quadrupolar cross-section calculations in the framework of multiple-scattering theory. We assign the first pre-edge feature to a direct quadrupolar transition from 1s core state to 3d molecular orbitals of the central atom, e.g., the lowest in energy, due to the more effective attraction of the core hole. The second peak in this region arises unambiguously from the hybridization between p-orbitals of the central atom with higher-shell metal octahedral orbitals.

X-ray absorption fine structuresX-ray absorption near-edge structureMnO
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