RESONANT X-RAY SCATTERING INYTiO3ANDYVO3

Manabu Takahashi and Jun-Ichi Igarashi
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Manabu Takahashi: Faculty of Engineering, Gunma University, Kiryu, Gunma 376-8515, Japan
Jun-Ichi Igarashi: Faculty of Engineering, Gunma University, Kiryu, Gunma 376-8515, Japan

Surface Review and Letters (SRL), 2002, vol. 09, issue 02, 1197-1201

Abstract: We investigate the Ti and VKedge resonant X-ray scattering spectra inYTiO3andYVO3by usingab initioband structure calculation based on the local density approximation. The calculated spectra show good agreement with recent experiments, although the effect of the orbital ordering is neglected, while that of the lattice distortion is taken into account in the calculation. Particularly, the observed drastic change of the spectra for the (100) reflection between the low temperature and intermediate temperature phases ofYVO3is nicely explained by the difference of the Jahn–Teller distortion between the two phases. These results cast doubt on an assertion that the resonant X-ray scattering is a direct observation of the orbital order inYTiO3andYVO3.

Date: 2002
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DOI: 10.1142/S0218625X02003512

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