Missing-Band Fermi Surface inTransition-Metal Oxide: Effect of the Octahedra Rotation on the Electronic Structure
- 7 September 2006
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review Letters
- Vol. 97 (10), 106401
- https://doi.org/10.1103/physrevlett.97.106401
Abstract
Electronic structures of the transition-metal oxide compound are investigated by angle-resolved photoemission spectroscopy and density-functional electronic structure calculations. In the measured Fermi surfaces (FS) of , the -band FS sheet expected from the well-established results of the FS of is missing, the volume of which should be different only by one additional electron for . The apparent contradiction is resolved by a careful analysis of the band structure where the rotation of octahedra results in the hybridization of and states and thus plays a key role in the determination of the electronic structure near . The modification of the FS structure due to the distorted lattice is related to the charge transfer among the orbital states and suggested to be relevant to the metal-insulator transition in .
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