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  Electronic structure and spin-state transition of LaCoO3

Abbate, M., Fuggle, J. C., Fujimori, A., Tjeng, L. H., Chen, C. T., Potze, R., et al. (1993). Electronic structure and spin-state transition of LaCoO3. Physical Review B, 47(24), 16124-16130. doi:10.1103/PhysRevB.47.16124.

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Abbate, M.1, Author
Fuggle, J. C.1, Author
Fujimori, A.1, Author
Tjeng, L. H.2, Author              
Chen, C. T.1, Author
Potze, R.1, Author
Sawatzky, G. A.1, Author
Eisaki, H.1, Author
Uchida, S.1, Author
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1external, ou_persistent22              
2External Organizations, ou_persistent22              

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 Abstract: We present soft-x-ray absorption spectra (XAS) of LaCoO3 taken at different temperatures (80-630 K). The shape of the multiplets in the Co 2p XAS spectra conveys information on the symmetry and spin of the ground state. The 0 Is XAS spectra are related to unoccupied metal bands through covalent mixing. The changes in the spectra taken at different temperatures provide information on the spin-state transition in this compound. At low temperature, 80 and 300 K, the material is in a highly covalent low-spin state. The main contribution to the ground state in this case is given by t2g6 (1A1) with an occupancy of 0.56. At higher temperature, 550 and 630 K, the results indicate a gradual transition to a mixed-spin state. The main contribution to the high-spin part of the mixture is given by t2g4e(g)2(5T2) with an occupancy of 0.71. There is no evidence of charge disproportionation in the temperature range 80-630 K. The O 1s XAS spectra reflect important changes in the unoccupied Co 3d bands across the spin-state transition.

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 Dates: 1993-06-15
 Publication Status: Published in print
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 Table of Contents: -
 Rev. Type: -
 Identifiers: ISI: A1993LJ15600003
DOI: 10.1103/PhysRevB.47.16124
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Title: Physical Review B
  Other : Phys. Rev. B
Source Genre: Journal
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Publ. Info: Woodbury, NY : American Physical Society
Pages: - Volume / Issue: 47 (24) Sequence Number: - Start / End Page: 16124 - 16130 Identifier: ISSN: 1098-0121
CoNE: https://pure.mpg.de/cone/journals/resource/954925225008