Abstract
A systematic investigation of 2p core-level X-ray photoemission spectra (2pXPS) of a series of transition metal (TM) sesquioxides M2O3 (M = Ti, V, Cr, Mn, Fe) is reported. Theoretical analysis was carried out by means of an MO6 cluster model with the full multiplet structure of the M ion and the calculated results of the 2pXPS are in good agreement with the experimental data. Moreover, theoretical and experimental investigations of SpXPS, SsXPS, valence XPS and bremsstrahlung isochromat spectra (BIS) of Cr2O3 were also performed and all of these experimental data are satisfactorily reproduced with the cluster model approach. The character of the insulating energy gap of these M2O3 compounds was also studied based on the spectral analysis. It is shown that the M2O3 compounds from Ti2O3 to Mn2O3 are classified as intermediate-type insulators between charge transfer (CT) and Mott-Hubbard (MH) insulators, and Fe2O3 is classified as a CT insulator.
| Original language | English |
|---|---|
| Pages (from-to) | 9-20 |
| Number of pages | 12 |
| Journal | Journal of Electron Spectroscopy and Related Phenomena |
| Volume | 83 |
| Issue number | 1 |
| Publication status | Published - Jan 1997 |
| Externally published | Yes |
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Keywords
- Cluster model
- Electronic structure
- Transition metal sesquioxides
- X-ray photoemission spectra
ASJC Scopus subject areas
- Physical and Theoretical Chemistry
- Spectroscopy
- Atomic and Molecular Physics, and Optics
- Surfaces and Interfaces
Cite this
Theoretical and experimental studies on the electronic structure of M2O3 (M = Ti, V, Cr, Mn, Fe) compounds by systematic analysis of high-energy spectroscopy. / Uozumi, T.; Okada, Kozo; Kotani, A.; Zimmermann, R.; Steiner, P.; Hüfner, S.; Tezuka, Y.; Shin, S.
In: Journal of Electron Spectroscopy and Related Phenomena, Vol. 83, No. 1, 01.1997, p. 9-20.Research output: Contribution to journal › Article
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TY - JOUR
T1 - Theoretical and experimental studies on the electronic structure of M2O3 (M = Ti, V, Cr, Mn, Fe) compounds by systematic analysis of high-energy spectroscopy
AU - Uozumi, T.
AU - Okada, Kozo
AU - Kotani, A.
AU - Zimmermann, R.
AU - Steiner, P.
AU - Hüfner, S.
AU - Tezuka, Y.
AU - Shin, S.
PY - 1997/1
Y1 - 1997/1
N2 - A systematic investigation of 2p core-level X-ray photoemission spectra (2pXPS) of a series of transition metal (TM) sesquioxides M2O3 (M = Ti, V, Cr, Mn, Fe) is reported. Theoretical analysis was carried out by means of an MO6 cluster model with the full multiplet structure of the M ion and the calculated results of the 2pXPS are in good agreement with the experimental data. Moreover, theoretical and experimental investigations of SpXPS, SsXPS, valence XPS and bremsstrahlung isochromat spectra (BIS) of Cr2O3 were also performed and all of these experimental data are satisfactorily reproduced with the cluster model approach. The character of the insulating energy gap of these M2O3 compounds was also studied based on the spectral analysis. It is shown that the M2O3 compounds from Ti2O3 to Mn2O3 are classified as intermediate-type insulators between charge transfer (CT) and Mott-Hubbard (MH) insulators, and Fe2O3 is classified as a CT insulator.
AB - A systematic investigation of 2p core-level X-ray photoemission spectra (2pXPS) of a series of transition metal (TM) sesquioxides M2O3 (M = Ti, V, Cr, Mn, Fe) is reported. Theoretical analysis was carried out by means of an MO6 cluster model with the full multiplet structure of the M ion and the calculated results of the 2pXPS are in good agreement with the experimental data. Moreover, theoretical and experimental investigations of SpXPS, SsXPS, valence XPS and bremsstrahlung isochromat spectra (BIS) of Cr2O3 were also performed and all of these experimental data are satisfactorily reproduced with the cluster model approach. The character of the insulating energy gap of these M2O3 compounds was also studied based on the spectral analysis. It is shown that the M2O3 compounds from Ti2O3 to Mn2O3 are classified as intermediate-type insulators between charge transfer (CT) and Mott-Hubbard (MH) insulators, and Fe2O3 is classified as a CT insulator.
KW - Cluster model
KW - Electronic structure
KW - Transition metal sesquioxides
KW - X-ray photoemission spectra
UR - http://www.scopus.com/inward/record.url?scp=0002631474&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=0002631474&partnerID=8YFLogxK
M3 - Article
AN - SCOPUS:0002631474
VL - 83
SP - 9
EP - 20
JO - Journal of Electron Spectroscopy and Related Phenomena
JF - Journal of Electron Spectroscopy and Related Phenomena
SN - 0368-2048
IS - 1
ER -