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.
We have performed a detailed angel-resolved photoemission spectroscopy study of in-situ prepared SrVO3 thin films. Naturally capped by a ``transparent protective layer, contributions from surface states centered at ~ -1.5 eV are dramatically reduced,
enabling us to study the bulk V 3d states. We have observed a clear band dispersion not only in the coherent quasiparticle part but also in the incoherent part, which are reproduced by dynamical mean-field theory calculations and the spectral weight of the incoherent part is stronger within the Fermi surface.
We have studied the O 2p valence-band structure of Nb-doped SrTiO3, in which a dilute concentration of electrons are doped into the d0 band insulator, by angle-resolved photoemission spectroscopy (ARPES) measurements. We found that ARPES spectra at t
he valence band maxima at the M [k = (pi/a, pi/a, 0)]and R [k = (pi/a, pi/a, pi/a)] points start from ~ 3.3 eV below the Fermi level (EF), consistent with the indirect band gap of 3.3 eV and the EF position at the bottom of the conduction band. The peak position of the ARPES spectra were, however, shifted toward higher binding energies by ~ 500 meV from the 3.3 eV threshold. Because the bands at M and R have pure O 2p character, we attribute this ~ 500 meV shift to strong coupling of the oxygen p hole with optical phonons in analogy with the peak shifts observed for d-electron photoemission spectra in various transition-metal oxides.
By means of photoemission and x-ray absorption spectroscopy, we have studied the electronic structure of (Ni,Zn,Fe,Ti)$_{3}$O$_{4}$ thin films, which exhibits a cluster glass behavior with a spin-freezing temperature $T_f$ of $sim 230$ K and photo-in
duced magnetization (PIM) below $T_f$. The Ni and Zn ions were found to be in the divalent states. Most of the Fe and Ti ions in the thin films were trivalent (Fe$^{3+}$) and tetravalent (Ti$^{4+}$), respectively. While Ti doping did not affect the valence states of the Ni and Zn ions, a small amount of Fe$^{2+}$ ions increased with Ti concentration, consistent with the proposed charge-transfer mechanism of PIM.
We have studied the chemical potential shift as a function of temperature in Nd$_{1-x}$Sr$_x$MnO$_3$ (NSMO) by measurements of core-level photoemission spectra. For ferromagnetic samples ($x=0.4$ and 0.45), we observed an unusually large upward chemi
cal potential shift with decreasing temperature in the low-temperature region of the ferromagnetic metallic (FM) phase. This can be explained by the double-exchange (DE) mechanism if the $e_g$ band is split by dynamical/local Jahn-Teller effect. The shift was suppressed near the Curie temperature ($T_C$), which we attribute to the crossover from the DE to lattice-polaron regimes.
We have measured photoemission spectra of two kinds of TiO$_2$-capped VO$_2$ thin films, namely, that with rutile-type TiO$_2$ (r-TiO$_2$/VO$_2$) and that with amorphous TiO$_2$ (a-TiO$_2$/VO$_2$) capping layers. Below the Metal-insulator transition
temperature of the VO$_2$ thin films, $sim 300$ K, metallic states were not observed for the interfaces with TiO$_2$, in contrast with the interfaces between the band insulator SrTiO$_3$ and the Mott insulator LaTiO$_3$ in spite of the fact that both TiO$_2$ and SrTiO$_3$ are band insulators with $d^0$ electronic configurations and both VO$_2$ and LaTiO$_3$ are Mott insulators with $d^1$ electronic configurations. We discuss possible origins of this difference and suggest the importance of the polarity discontinuity of the interfaces. Stronger incoherent part was observed in r-TiO$_2$/VO$_2$ than in a-TiO$_2$/VO$_2$, suggesting Ti-V atomic diffusion due to the higher deposition temperature for r-TiO$_2$/VO$_2$.
We have measured photoemission spectra of SrTiO3/LaTiO3 superlattices with a topmost SrTiO3 layer of variable thickness. Finite coherent spectral weight with a clear Fermi cut-off was observed at chemically abrupt SrTiO3/LaTiO3 interfaces, indicating
that an ``electronic reconstruction occurs at the interface between the Mott insulator LaTiO3 and the band insulator SrTiO3. For SrTiO3/LaTiO3 interfaces annealed at high temperatures (~ 1000 C), which leads to Sr/La atomic interdiffusion and hence to the formation of La1-xSrxTiO3-like material, the intensity of the incoherent part was found to be dramatically reduced whereas the coherent part with a sharp Fermi cut-off is enhanced due to the spread of charge. These important experimental features are well reproduced by layer dynamical-mean-field-theory calculation.
We have performed an angle-resolved photoemission spectroscopy study of La$_{0.6}$Sr$_{0.4}$FeO$_3$ using {it in situ} prepared thin films and determined its band structure. The experimental band dispersions could be well explained by an empirical ba
nd structure assuming the G-type antiferromagnetic state. However, the Fe 3d bands were found to be shifted downward relative to the Fermi level ($E_F$) by $sim 1$ eV compared with the calculation and to form a (pseudo)gap of $sim 1$ eV at $E_F$. We attribute this observation to a strong localization effect of doped holes due to polaron formation.
