Abstract
The electronic structures of a wide range of early transition-metal (TM) compounds, including Ti and V oxides with metal valences ranging from 2+ to 5+ and formal d-electron numbers ranging from 0 to 2, have been investigated by a configuration-interaction cluster model analysis of the core-level metal 2p x-ray photoemission spectra (XPS). Inelastic energy-loss backgrounds calculated from experimentally measured electron-energy-loss spectra (EELS) were subtracted from the XPS spectra to remove extrinsic loss features. Parameter values deduced for the charge-transfer energy Δ and the d-d Coulomb repulsion energy U are shown to continue the systematic trends established previously for the late TM compounds, giving support to a charge-transfer mechanism for the satellite structures. The early TM compounds are characterized by a large metal d-ligand p hybridization energy, resulting in strong covalency in these compounds. Values for Δ and U suggest that many early TM compounds should be reclassified as intermediate between the charge-transfer regime and the Mott-Hubbard regime.
| Original language | English |
|---|---|
| Pages (from-to) | 1161-1170 |
| Number of pages | 10 |
| Journal | Physical Review B - Condensed Matter and Materials Physics |
| Volume | 53 |
| Issue number | 3 |
| Publication status | Published - 1996 |
| Externally published | Yes |
Fingerprint
ASJC Scopus subject areas
- Condensed Matter Physics
Cite this
Electronic structure of early 3d-transition-metal oxides by analysis of the 2p core-level photoemission spectra. / Bocquet, A. E.; Mizokawa, Takashi; Morikawa, K.; Fujimori, A.; Barman, S. R.; Maiti, K.; Sarma, D. D.; Tokura, Y.; Onoda, M.
In: Physical Review B - Condensed Matter and Materials Physics, Vol. 53, No. 3, 1996, p. 1161-1170.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - Electronic structure of early 3d-transition-metal oxides by analysis of the 2p core-level photoemission spectra
AU - Bocquet, A. E.
AU - Mizokawa, Takashi
AU - Morikawa, K.
AU - Fujimori, A.
AU - Barman, S. R.
AU - Maiti, K.
AU - Sarma, D. D.
AU - Tokura, Y.
AU - Onoda, M.
PY - 1996
Y1 - 1996
N2 - The electronic structures of a wide range of early transition-metal (TM) compounds, including Ti and V oxides with metal valences ranging from 2+ to 5+ and formal d-electron numbers ranging from 0 to 2, have been investigated by a configuration-interaction cluster model analysis of the core-level metal 2p x-ray photoemission spectra (XPS). Inelastic energy-loss backgrounds calculated from experimentally measured electron-energy-loss spectra (EELS) were subtracted from the XPS spectra to remove extrinsic loss features. Parameter values deduced for the charge-transfer energy Δ and the d-d Coulomb repulsion energy U are shown to continue the systematic trends established previously for the late TM compounds, giving support to a charge-transfer mechanism for the satellite structures. The early TM compounds are characterized by a large metal d-ligand p hybridization energy, resulting in strong covalency in these compounds. Values for Δ and U suggest that many early TM compounds should be reclassified as intermediate between the charge-transfer regime and the Mott-Hubbard regime.
AB - The electronic structures of a wide range of early transition-metal (TM) compounds, including Ti and V oxides with metal valences ranging from 2+ to 5+ and formal d-electron numbers ranging from 0 to 2, have been investigated by a configuration-interaction cluster model analysis of the core-level metal 2p x-ray photoemission spectra (XPS). Inelastic energy-loss backgrounds calculated from experimentally measured electron-energy-loss spectra (EELS) were subtracted from the XPS spectra to remove extrinsic loss features. Parameter values deduced for the charge-transfer energy Δ and the d-d Coulomb repulsion energy U are shown to continue the systematic trends established previously for the late TM compounds, giving support to a charge-transfer mechanism for the satellite structures. The early TM compounds are characterized by a large metal d-ligand p hybridization energy, resulting in strong covalency in these compounds. Values for Δ and U suggest that many early TM compounds should be reclassified as intermediate between the charge-transfer regime and the Mott-Hubbard regime.
UR - http://www.scopus.com/inward/record.url?scp=0001644276&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=0001644276&partnerID=8YFLogxK
M3 - Article
VL - 53
SP - 1161
EP - 1170
JO - Physical Review B-Condensed Matter
JF - Physical Review B-Condensed Matter
SN - 0163-1829
IS - 3
ER -