Abstract
The local electronic structure of 3d transition metal compounds is characterized by a few parameters, namely the ligand p to cation d charge transfer energy Δ, the dd Coulomb repulsion energy U, and the pd transfer integrals T. Values for these parameters deduced from the cluster model analysis of cation core level photoemission spectra are shown to exhibit systematic chemical trends as functions of cation atomic number, ligand, and cation valence. Physical properties of these compounds such as the magnitudes of the band gaps, pd covalency and the character of doped carriers, however, are not necessarily smooth functions of those variables but depend also on the nominal d electron number n due to the multiplet effects leading to the stabilization of the Hund's rule ground state. As an illustrative example, the electronic structure of valence-control Mn and Fe oxides is discussed.
| Original language | English |
|---|---|
| Pages (from-to) | 141-152 |
| Number of pages | 12 |
| Journal | Journal of Electron Spectroscopy and Related Phenomena |
| Volume | 62 |
| Issue number | 1-2 |
| DOIs | |
| Publication status | Published - 1993 |
| Externally published | Yes |
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ASJC Scopus subject areas
- Physical and Theoretical Chemistry
- Spectroscopy
- Atomic and Molecular Physics, and Optics
- Surfaces and Interfaces
Cite this
Electronic structure of 3d transition metal compounds : systematic chemical trends and multiplet effects. / Fujimori, A.; Bocquet, A. E.; Saitoh, T.; Mizokawa, Takashi.
In: Journal of Electron Spectroscopy and Related Phenomena, Vol. 62, No. 1-2, 1993, p. 141-152.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - Electronic structure of 3d transition metal compounds
T2 - systematic chemical trends and multiplet effects
AU - Fujimori, A.
AU - Bocquet, A. E.
AU - Saitoh, T.
AU - Mizokawa, Takashi
PY - 1993
Y1 - 1993
N2 - The local electronic structure of 3d transition metal compounds is characterized by a few parameters, namely the ligand p to cation d charge transfer energy Δ, the dd Coulomb repulsion energy U, and the pd transfer integrals T. Values for these parameters deduced from the cluster model analysis of cation core level photoemission spectra are shown to exhibit systematic chemical trends as functions of cation atomic number, ligand, and cation valence. Physical properties of these compounds such as the magnitudes of the band gaps, pd covalency and the character of doped carriers, however, are not necessarily smooth functions of those variables but depend also on the nominal d electron number n due to the multiplet effects leading to the stabilization of the Hund's rule ground state. As an illustrative example, the electronic structure of valence-control Mn and Fe oxides is discussed.
AB - The local electronic structure of 3d transition metal compounds is characterized by a few parameters, namely the ligand p to cation d charge transfer energy Δ, the dd Coulomb repulsion energy U, and the pd transfer integrals T. Values for these parameters deduced from the cluster model analysis of cation core level photoemission spectra are shown to exhibit systematic chemical trends as functions of cation atomic number, ligand, and cation valence. Physical properties of these compounds such as the magnitudes of the band gaps, pd covalency and the character of doped carriers, however, are not necessarily smooth functions of those variables but depend also on the nominal d electron number n due to the multiplet effects leading to the stabilization of the Hund's rule ground state. As an illustrative example, the electronic structure of valence-control Mn and Fe oxides is discussed.
UR - http://www.scopus.com/inward/record.url?scp=0004769132&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=0004769132&partnerID=8YFLogxK
U2 - 10.1016/0368-2048(93)80011-A
DO - 10.1016/0368-2048(93)80011-A
M3 - Article
AN - SCOPUS:0004769132
VL - 62
SP - 141
EP - 152
JO - Journal of Electron Spectroscopy and Related Phenomena
JF - Journal of Electron Spectroscopy and Related Phenomena
SN - 0368-2048
IS - 1-2
ER -