学術雑誌論文 Electronic structure and correlation in β−Ti3O5 and λ−Ti3O5 studied by hard x-ray photoelectron spectroscopy

Kobayashi, Keisuke  ,  Taguchi, Munetaka  ,  Kobata, Masaaki  ,  Tanaka, Kenji  ,  Tokoro, Hiroko  ,  Daimon, Hiroshi  ,  Okane, Tetsuo  ,  Yamagami, Hiroshi  ,  Ikenaga, Eiji  ,  Ohkoshi, Shin-ichi

95 ( 8 )  , p.085133 , 2017-02 , American Physical Society
ISSN:2469-9950
NII書誌ID(NCID):AA11187113
内容記述
We have conducted hard x-ray photoelectron spectroscopy investigations of the electronic structure changes and electron correlation phenomena which take place upon the photoinduced reversible phase transition between β- and λ−Ti3O. From valence band spectra of β- and λ−Ti3O5, we have identified the bipolaron caused by the σ-type bonding of dxy orbitals in β−Ti3O5 and the π stacking between the dxy orbitals between different Ti sites in λ−Ti3O5, previously predicted by ab initio calculations. This indicates that the single electron band picture is valid for the description of photoinduced phase transitions. On the other hand, the Ti 2p and Ti 1s core level spectra exhibit nonlocal screening satellite features, which are typical spectroscopic signs of strong electron correlation in the coherent Tit2g states. The most striking result we obtain is that correlation in the valence band also manifests to reduce the plasmon energy, which results in an enhancement of the valence electron mass by a factor of 2.7.
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