Local spin moment of LaCoO3 probed by a core hole

Chikashi Suzuki, Jun Kawai, Jun Ya Tanizawa, Hirohiko Adachi, Shuji Kawasaki, Mikio Takano, T. Mukoyama

Research output: Contribution to journalArticle

12 Citations (Scopus)

Abstract

The electronic structures of the ground state and the 1s-1 core-hole state of high-spin cobalt oxide clusters are calculated. The calculated results indicate that the high-spin Co3+ oxide becomes low spin in the core-hole state. To check the validity of the present calculation, we have measured the high-resolution X-ray fluorescence spectra of the Co K-L3 (Kα1) line shape for various cobalt compounds using a double-crystal X-ray fluorescence spectrometer: Co(acac)2, Co(acac)3, CoF3, CoCl2, CoBr2, K3[Co(CN)6], CoO, Co3O4, LaCoO3, and Co (metal), where acac denotes CH3COCHCOCH3 -. We conclude from the comparison of the calculations with the experimental results that the cobalt ion in LaCoO3 at room temperature is high-spin state in spite that the reported spin state of this perovskite is different among the probing methods. The implications of the spin-flip shake-down process for the interpretation of the core-level X-ray photoelectron spectra, X-ray absorption spectra, and X-ray fluorescence spectra are discussed.

Original languageEnglish
Pages (from-to)17-27
Number of pages11
JournalChemical Physics
Volume241
Issue number1
Publication statusPublished - Feb 1 1999

Fingerprint

moments
X rays
Fluorescence
Cobalt compounds
x rays
fluorescence
Core levels
X ray absorption
Photoelectrons
Cobalt
cobalt compounds
Oxides
Ground state
Electronic structure
Spectrometers
Absorption spectra
cobalt oxides
Metals
Ions
Crystals

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Spectroscopy
  • Atomic and Molecular Physics, and Optics

Cite this

Suzuki, C., Kawai, J., Tanizawa, J. Y., Adachi, H., Kawasaki, S., Takano, M., & Mukoyama, T. (1999). Local spin moment of LaCoO3 probed by a core hole. Chemical Physics, 241(1), 17-27.

Local spin moment of LaCoO3 probed by a core hole. / Suzuki, Chikashi; Kawai, Jun; Tanizawa, Jun Ya; Adachi, Hirohiko; Kawasaki, Shuji; Takano, Mikio; Mukoyama, T.

In: Chemical Physics, Vol. 241, No. 1, 01.02.1999, p. 17-27.

Research output: Contribution to journalArticle

Suzuki, C, Kawai, J, Tanizawa, JY, Adachi, H, Kawasaki, S, Takano, M & Mukoyama, T 1999, 'Local spin moment of LaCoO3 probed by a core hole', Chemical Physics, vol. 241, no. 1, pp. 17-27.
Suzuki C, Kawai J, Tanizawa JY, Adachi H, Kawasaki S, Takano M et al. Local spin moment of LaCoO3 probed by a core hole. Chemical Physics. 1999 Feb 1;241(1):17-27.
Suzuki, Chikashi ; Kawai, Jun ; Tanizawa, Jun Ya ; Adachi, Hirohiko ; Kawasaki, Shuji ; Takano, Mikio ; Mukoyama, T. / Local spin moment of LaCoO3 probed by a core hole. In: Chemical Physics. 1999 ; Vol. 241, No. 1. pp. 17-27.
@article{53def5e7bf984b4a883c94d271d4a879,
title = "Local spin moment of LaCoO3 probed by a core hole",
abstract = "The electronic structures of the ground state and the 1s-1 core-hole state of high-spin cobalt oxide clusters are calculated. The calculated results indicate that the high-spin Co3+ oxide becomes low spin in the core-hole state. To check the validity of the present calculation, we have measured the high-resolution X-ray fluorescence spectra of the Co K-L3 (Kα1) line shape for various cobalt compounds using a double-crystal X-ray fluorescence spectrometer: Co(acac)2, Co(acac)3, CoF3, CoCl2, CoBr2, K3[Co(CN)6], CoO, Co3O4, LaCoO3, and Co (metal), where acac denotes CH3COCHCOCH3 -. We conclude from the comparison of the calculations with the experimental results that the cobalt ion in LaCoO3 at room temperature is high-spin state in spite that the reported spin state of this perovskite is different among the probing methods. The implications of the spin-flip shake-down process for the interpretation of the core-level X-ray photoelectron spectra, X-ray absorption spectra, and X-ray fluorescence spectra are discussed.",
author = "Chikashi Suzuki and Jun Kawai and Tanizawa, {Jun Ya} and Hirohiko Adachi and Shuji Kawasaki and Mikio Takano and T. Mukoyama",
year = "1999",
month = "2",
day = "1",
language = "English",
volume = "241",
pages = "17--27",
journal = "Chemical Physics",
issn = "0301-0104",
publisher = "Elsevier",
number = "1",

}

TY - JOUR

T1 - Local spin moment of LaCoO3 probed by a core hole

AU - Suzuki, Chikashi

AU - Kawai, Jun

AU - Tanizawa, Jun Ya

AU - Adachi, Hirohiko

AU - Kawasaki, Shuji

AU - Takano, Mikio

AU - Mukoyama, T.

PY - 1999/2/1

Y1 - 1999/2/1

N2 - The electronic structures of the ground state and the 1s-1 core-hole state of high-spin cobalt oxide clusters are calculated. The calculated results indicate that the high-spin Co3+ oxide becomes low spin in the core-hole state. To check the validity of the present calculation, we have measured the high-resolution X-ray fluorescence spectra of the Co K-L3 (Kα1) line shape for various cobalt compounds using a double-crystal X-ray fluorescence spectrometer: Co(acac)2, Co(acac)3, CoF3, CoCl2, CoBr2, K3[Co(CN)6], CoO, Co3O4, LaCoO3, and Co (metal), where acac denotes CH3COCHCOCH3 -. We conclude from the comparison of the calculations with the experimental results that the cobalt ion in LaCoO3 at room temperature is high-spin state in spite that the reported spin state of this perovskite is different among the probing methods. The implications of the spin-flip shake-down process for the interpretation of the core-level X-ray photoelectron spectra, X-ray absorption spectra, and X-ray fluorescence spectra are discussed.

AB - The electronic structures of the ground state and the 1s-1 core-hole state of high-spin cobalt oxide clusters are calculated. The calculated results indicate that the high-spin Co3+ oxide becomes low spin in the core-hole state. To check the validity of the present calculation, we have measured the high-resolution X-ray fluorescence spectra of the Co K-L3 (Kα1) line shape for various cobalt compounds using a double-crystal X-ray fluorescence spectrometer: Co(acac)2, Co(acac)3, CoF3, CoCl2, CoBr2, K3[Co(CN)6], CoO, Co3O4, LaCoO3, and Co (metal), where acac denotes CH3COCHCOCH3 -. We conclude from the comparison of the calculations with the experimental results that the cobalt ion in LaCoO3 at room temperature is high-spin state in spite that the reported spin state of this perovskite is different among the probing methods. The implications of the spin-flip shake-down process for the interpretation of the core-level X-ray photoelectron spectra, X-ray absorption spectra, and X-ray fluorescence spectra are discussed.

UR - http://www.scopus.com/inward/record.url?scp=0033475801&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0033475801&partnerID=8YFLogxK

M3 - Article

VL - 241

SP - 17

EP - 27

JO - Chemical Physics

JF - Chemical Physics

SN - 0301-0104

IS - 1

ER -