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Local structure analysis of BaTiO$$_3$$ modulated by Mn substitution

Yoneda, Yasuhiro; Kohara, Shinji*; Noguchi, Yuji*; Miyayama, Masaru*

Barium titanate (BaTiO$$_3$$) with a high dielectric constant is widely used in the production of ceramic capacitors. However, during sintering large numbers of ionized oxygen vacancies and conduction electrons are created. Doping with manganese is one of several ways to confine the electrons to a small region. In Mn-doped BaTiO$$_3$$ there exist three valence states for the manganese ions, Mn$$^{2+}$$, Mn$$^{3+}$$, and Mn$$^{4+}$$. The Mn$$^{4+}$$ is nearly exactly incorporated into Ti$$^{4+}$$ sites and participates in the collective motion in the lattice. We performed local structure analysis by using atomic pair-distribution function (PDF) and X-ray absorption fine structure (XAFS). Figure 1 shows the obtained PDFs for pure BaTiO$$_3$$ and 0.5%-Mn-doped BaTiO$$_3$$. All data collected at room temperature. Two obtained PDF patterns are well in agreement. Mn doping has hardly affected local structure.

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