Pre-K-edge structure on resonant X-ray scattering in LaMnO3

We study the pre-K-edge structure of the resonant X-ray scattering (RXS) fo r forbidden reflections in LaMnO3, using the band structure calculation bas ed on the local density approximation. We find a two-peak structure with an intensity of approximately 1% of the main peak in the pre-K edge region in the RXS. This originates from the p symmetric states of Mn mixing with the 3d states of neighboring Mn sites in the intermediate states of the dipole process. We also calculate the X-ray absorption spectra in the pre-K-edge region, which were in good agreement with the recent experiment. (C) 2001 E lsevier Science B.V. All rights reserved.