Oxygen hole state in A-site ordered perovskite ACu3Ru 4O12 (A = Na, Ca, and La) probed by resonant X-ray emission spectroscopy

Masaichiro Mizumaki, Takashi Mizokawa, Akane Agui, Soutaro Tanaka, Hiroshi Takatsu, Shingo Yonezawa, Yoshiteru Maeno

Research output: Contribution to journalArticle

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Abstract

In contrast to ordinary perovskites ABO3, A-site ordered perovskites AA′3B4O12 include transition metals in both A′ and B sites. The A′-O, B-O, and A′-B interactions in A-site ordered perovskites give rise to various physical properties. In this study, we report the O 1s and Cu 2p x-ray absorption spectroscopy (XAS) and resonant x-ray emission spectroscopy (RXES) study on the A-site ordered perovskite ACu3Ru4O12 (A = Na, Ca, and La). Hartree-Fock calculation and cluster model calculation were carried out to analyze O 1s and Cu 2p XAS spectra. The O 1s RXES spectra indicate that the number of O 2p holes increases in going from La to Ca to Na. In addition, the Cu 2p RXES spectra reveal that the charge-transfer (CT) energy decreases in going from La to Ca to Na. The decrease of CT is consistent with our calculations and suggest an increase of the O 2p holes in the ground state. The substitution of the A site ion changes not only the carrier concentration in the Ru 4d and Cu 3d bands but also the O 2p to Cu 3d CT energy.

Original languageEnglish
Article number024709
JournalJournal of the Physical Society of Japan
Volume82
Issue number2
DOIs
Publication statusPublished - 2013 Feb
Externally publishedYes

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perovskites
charge transfer
x ray absorption
x ray spectroscopy
absorption spectroscopy
oxygen
spectroscopy
x rays
physical properties
transition metals
substitutes
ground state
energy
ions
interactions

Keywords

  • A-site ordered perovskite compounds
  • Resonant x-ray emission spectroscopy
  • Ru oxides
  • X-ray absorption Spectroscopy

ASJC Scopus subject areas

  • Physics and Astronomy(all)

Cite this

Oxygen hole state in A-site ordered perovskite ACu3Ru 4O12 (A = Na, Ca, and La) probed by resonant X-ray emission spectroscopy. / Mizumaki, Masaichiro; Mizokawa, Takashi; Agui, Akane; Tanaka, Soutaro; Takatsu, Hiroshi; Yonezawa, Shingo; Maeno, Yoshiteru.

In: Journal of the Physical Society of Japan, Vol. 82, No. 2, 024709, 02.2013.

Research output: Contribution to journalArticle

Mizumaki, Masaichiro ; Mizokawa, Takashi ; Agui, Akane ; Tanaka, Soutaro ; Takatsu, Hiroshi ; Yonezawa, Shingo ; Maeno, Yoshiteru. / Oxygen hole state in A-site ordered perovskite ACu3Ru 4O12 (A = Na, Ca, and La) probed by resonant X-ray emission spectroscopy. In: Journal of the Physical Society of Japan. 2013 ; Vol. 82, No. 2.
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AU - Agui, Akane

AU - Tanaka, Soutaro

AU - Takatsu, Hiroshi

AU - Yonezawa, Shingo

AU - Maeno, Yoshiteru

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AB - In contrast to ordinary perovskites ABO3, A-site ordered perovskites AA′3B4O12 include transition metals in both A′ and B sites. The A′-O, B-O, and A′-B interactions in A-site ordered perovskites give rise to various physical properties. In this study, we report the O 1s and Cu 2p x-ray absorption spectroscopy (XAS) and resonant x-ray emission spectroscopy (RXES) study on the A-site ordered perovskite ACu3Ru4O12 (A = Na, Ca, and La). Hartree-Fock calculation and cluster model calculation were carried out to analyze O 1s and Cu 2p XAS spectra. The O 1s RXES spectra indicate that the number of O 2p holes increases in going from La to Ca to Na. In addition, the Cu 2p RXES spectra reveal that the charge-transfer (CT) energy decreases in going from La to Ca to Na. The decrease of CT is consistent with our calculations and suggest an increase of the O 2p holes in the ground state. The substitution of the A site ion changes not only the carrier concentration in the Ru 4d and Cu 3d bands but also the O 2p to Cu 3d CT energy.

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