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We have performed the photoemission and inverse photoemission experiments to elucidate the origin of Mott insulating states in A-site ordered perovskite CaCu$_3$Ti$_4$O$_{12}$ (CCTO). Experimental results have revealed that Cu 3$d$-O 2$p$ hybridized bands, which are located around the Fermi level in the prediction of the local-density approximation (LDA) band calculations, are actually separated into the upper Hubbard band at $sim$ 1.5 eV and the lower Hubbard band at $sim$ $-$1.7 eV with a band gap of $sim$ 1.5-1.8 eV. We also observed that Cu 3$d$ peak at $sim$ $-$3.8 eV and Ti 3$d$ peak at $sim$ 3.8 eV are further away from each other than as indicated in the LDA calculations. In addition, it is found that the multiplet strucutre around $-$9 eV includes a considerable number of O 2$p$ states. These observations indicate that the Cu 3$d$ and Ti 3$d$ electrons hybridized with the O 2$p$ states are strongly correlated, which originates in the Mott-insulating states of CCTO.
We report angle-resolved photoemission spectroscopy (ARPES) results of A-site ordered perovskite CaCu$_3$Ti$_4$O$_{12}$. We have observed the clear band dispersions, which are shifted to the higher energy by 1.7 eV and show the band narrowing around 2 eV in comparison with the local density approximation calculations. In addition, the high energy multiplet structures of Cu 3$d^8$ final-states have been found around 8 - 13 eV. These results reveal that CaCu$_3$Ti$_4$O$_{12}$ is a Mott-type insulator caused by the strong correlation effects of the Cu 3$d$ electrons well hybridized with O 2$p$ states. Unexpectedly, there exist a very small spectral weight at the Fermi level in the insulator phase, indicating the existence of isolated metallic states.
103 - H. J. Im , T. Ito , H. Miyazaki 2009
Ce 3d-4f resonant angle-resolved photoemission measurements on CeCoGe$_{1.2}$Si$_{0.8}$ and CeCoSi$_{2}$ have been performed to understand the Fermi surface topology as a function of hybridization strength between Ce 4$f$- and conduction electrons in heavy-fermion systems. We directly observe that the hole-like Ce 4$f$-Fermi surfaces of CeCoSi$_{2}$ is smaller than that of CeCoGe$_{1.2}$Si$_{0.8}$, indicating the evolution of the Ce 4$f$-Fermi surface with the increase of the hybridization strength. In comparision with LDA calculation, the Fermi surface variation cannot be understood even though the overall electronic structure are roughly explained, indicating the importance of strong correlation effects. We also discuss the relation between the Ce 4$f$-Fermi surface variation and the Kondo peaks.
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