Electronic structure of 3d transition metal compounds: systematic chemical trends and multiplet effects

A. Fujimori, A. E. Bocquet, T. Saitoh, Takashi Mizokawa

Research output: Contribution to journalArticle

41 Citations (Scopus)

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 languageEnglish
Pages (from-to)141-152
Number of pages12
JournalJournal of Electron Spectroscopy and Related Phenomena
Volume62
Issue number1-2
DOIs
Publication statusPublished - 1993
Externally publishedYes

Fingerprint

Transition metal compounds
metal compounds
Electronic structure
Cations
Positive ions
fine structure
transition metals
electronic structure
trends
cations
Ligands
valence
ligands
Core levels
Photoemission
Oxides
Ground state
Charge transfer
Energy gap
photoelectric emission

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 journalArticle

@article{839e84b8fe0d494aba526830abc3da5e,
title = "Electronic structure of 3d transition metal compounds: systematic chemical trends and multiplet effects",
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.",
author = "A. Fujimori and Bocquet, {A. E.} and T. Saitoh and Takashi Mizokawa",
year = "1993",
doi = "10.1016/0368-2048(93)80011-A",
language = "English",
volume = "62",
pages = "141--152",
journal = "Journal of Electron Spectroscopy and Related Phenomena",
issn = "0368-2048",
publisher = "Elsevier",
number = "1-2",

}

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 -