TY - JOUR
T1 - Systematic Aspects of The Electronic Structure of 3d Transition-Metal Compounds
AU - Fujimori, Atsushi
AU - Saitoh, Tomohiko
AU - Mizokawa, Takashi
AU - Bocquet, Antoine E.
PY - 1993/1
Y1 - 1993/1
N2 - Systematic changes in the electronic structure of 3d transition-metal compounds with varying chemical compositions are studied by photoemission spectroscopy and configuration-interaction cluster-model analysis. The changes consist of(I) the smooth variation of model parameters such as the charge-transfer energy Δ and the d-d Coulomb repulsion energyU with atomic number and valence and (II) the apparently irregular multiplet corrections to Δ and U, which are functionsof the nominal electron number. These systematics are reflected upon the band gaps, covalency and character of dopedcarriers in transition-metal oxides and chalcogenides, and upon the optical absorption spectra and the ionization energies of substitutional transition-metal impurities in semiconductors.
AB - Systematic changes in the electronic structure of 3d transition-metal compounds with varying chemical compositions are studied by photoemission spectroscopy and configuration-interaction cluster-model analysis. The changes consist of(I) the smooth variation of model parameters such as the charge-transfer energy Δ and the d-d Coulomb repulsion energyU with atomic number and valence and (II) the apparently irregular multiplet corrections to Δ and U, which are functionsof the nominal electron number. These systematics are reflected upon the band gaps, covalency and character of dopedcarriers in transition-metal oxides and chalcogenides, and upon the optical absorption spectra and the ionization energies of substitutional transition-metal impurities in semiconductors.
KW - Anderson model
KW - Band gaps
KW - Cluster model
KW - Configuration interaction
KW - Covalency transition-metal impurities
KW - Transition-metal compounds
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U2 - 10.7567/JJAPS.32S3.217
DO - 10.7567/JJAPS.32S3.217
M3 - Article
AN - SCOPUS:77956653684
VL - 32
SP - 217
EP - 220
JO - Japanese Journal of Applied Physics, Part 1: Regular Papers & Short Notes
JF - Japanese Journal of Applied Physics, Part 1: Regular Papers & Short Notes
SN - 0021-4922
IS - S3
ER -