Physics – Condensed Matter – Strongly Correlated Electrons
Scientific paper
2008-10-27
J. Phys. Soc. Jpn. 78, 094709 (2009)
Physics
Condensed Matter
Strongly Correlated Electrons
5 pages, 3 figures
Scientific paper
10.1143/JPSJ.78.094709
We have performed systematic tight-binding (TB) analyses of the angle-resolved photoemission spectroscopy (ARPES) spectra of transition-metal (TM) oxides A$M$O$_3$ ($M=$ Ti, V, Mn, and Fe) with the perovskite-type structure and compared the obtained parameters with those obtained from configuration-interaction (CI) cluster-model analyses of photoemission spectra. The values of $\epsilon_d-\epsilon_p$ from ARPES are found to be similar to the charge-transfer energy $\Delta$ from O $2p$ orbitals to empty TM 3d orbitals and much larger than $\Delta-U/2$ ($U$: on-site Coulomb energy) expected for Mott-Hubbard-type compounds including SrVO$_3$. $\epsilon_d-\epsilon_p$ values from {\it ab initio} band-structure calculations show similar behaviors to those from ARPES. The values of the $p-d$ transfer integrals to describe the global electronic structure are found to be similar in all the estimates, whereas additional narrowing beyond the TB description occurs in the ARPES spectra of the $d$ band.
Chikamatsu A.
Fujimori Atsushi
Hamada Naoya
Kumigashira H.
Mizokawa Takashi
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