The off-centering of the Ti atom in SrTiO3 is discussed by calculating the resonant inelastic X-ray scattering (RIXS) at the Ti K absorption edge. The present TiO6 cluster model calculation shows that the Ti K RIXS is sensitive to the local symmetry at the Ti site. When the Ti atom is displaced from the center of the octahedral O6 cage, many RIXS structures can be observed. Our result suggests that such Ti off-centering occurs dynamically in SrTiO3.
|ジャーナル||Journal of the Physical Society of Japan|
|出版ステータス||Published - 4月 15 2016|
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