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Electronic structure of BaTiO$$_{3}$$ using resonant X-ray emission spectroscopy at the Ba-L$$_{3}$$ and Ti K absorption edges

Yoshii, Kenji ; Yoneda, Yasuhiro  ; Jarrige, I.*; Fukuda, Tatsuo  ; Nishihata, Yasuo; Suzuki, Chikashi ; Ito, Yoshiaki*; Terashima, Takahito*; Yoshikado, Shinzo*; Fukushima, Sei*

We have studied the electronic properties of ferroelectric BaTiO$$_{3}$$ using two complementary bulk-sensitive spectroscopic probes, resonant X-ray emission spectroscopy (RXES) and X-ray absorption spectroscopy in the partial fluorescence mode (PFY-XAS). Contrary to a previous study, we found no temperature change of a PFY-XAS spectrum at the Ba L$$_{3}$$ edge between room temperature and 150$$^{circ}$$C. This result is not supportive of the possible presence of the displacement around Ba$$^{2+}$$ at the Curie temperature. RXES spectra were measured at the Ti K edge for BaTiO$$_{3}$$, along with SrTiO$$_{3}$$ and La-doped metallic SrTiO$$_{3}$$. The photon energy of the emission peak is found to be nearly constant throughout the absorption edge for all three compounds. We deduce the Ti 3d states to have a delocalized character, in contrast with the Ba 5d states, a property which is consistent with the proposed scenario of the formation of electric dipoles in BaTiO$$_{3}$$.

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Category:Chemistry, Multidisciplinary

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