TY - JOUR
T1 - Analysis of charge compensation mechanisms in Pr1-xA xCoO3δ (A = Ca, Sr) by X-ray absorption near-edge structure
AU - Yoshioka, Tsuyoshi
AU - Yamamoto, Tomoyuki
AU - Kitada, Akihiko
PY - 2012/7
Y1 - 2012/7
N2 - The charge compensation mechanisms in polycrystalline Pr 1-xCaxCoO3δ and Pr1-x Sr xCoOδ here synthesized by the solid-state reaction method have been investigated by analyzing the Pr-L3 and Co-K X-ray absorption near-edge structure (XANES) with the aid of first-principles calculations. The valence states of Pr ions in these materials were determined to be trivalent (Pr3) and independent of the concentration of alkaline-earth ions observed in the Pr-L3 XANES profile. The Co-K XANES spectra shifted to the higher-energy side with an increase in alkalineearth concentration and were examined in detail by first-principles calculations. Using calculated XANES results, we successfully determined that the valence state of Co ions is an intermediate value between 3+ and 4+ and increases with an increase in the concentration of alkaline-earth ions in Pr1-xAxCoO 3δ (A = Ca, Sr) accompanying oxygen vacancy.
AB - The charge compensation mechanisms in polycrystalline Pr 1-xCaxCoO3δ and Pr1-x Sr xCoOδ here synthesized by the solid-state reaction method have been investigated by analyzing the Pr-L3 and Co-K X-ray absorption near-edge structure (XANES) with the aid of first-principles calculations. The valence states of Pr ions in these materials were determined to be trivalent (Pr3) and independent of the concentration of alkaline-earth ions observed in the Pr-L3 XANES profile. The Co-K XANES spectra shifted to the higher-energy side with an increase in alkalineearth concentration and were examined in detail by first-principles calculations. Using calculated XANES results, we successfully determined that the valence state of Co ions is an intermediate value between 3+ and 4+ and increases with an increase in the concentration of alkaline-earth ions in Pr1-xAxCoO 3δ (A = Ca, Sr) accompanying oxygen vacancy.
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U2 - 10.1143/JJAP.51.073201
DO - 10.1143/JJAP.51.073201
M3 - Article
AN - SCOPUS:84863794092
SN - 0021-4922
VL - 51
JO - Japanese journal of applied physics
JF - Japanese journal of applied physics
IS - 7 PART 1
M1 - 073201
ER -