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Changes in the electronic structure of Ti4O7 across the semiconductor–semiconductor-metal transitions

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Abbate, M., Potze, R., Sawatzky, G. A., Schlenker, C., Lin, H. J., Tjeng, L. H., et al. (1995). Changes in the electronic structure of Ti4O7 across the semiconductor–semiconductor-metal transitions. Physical Review B, 51(15), 10150-10153. doi:10.1103/PhysRevB.51.10150.


Cite as: http://hdl.handle.net/11858/00-001M-0000-0019-1900-C
Abstract
We present and discuss photoemission (PES) and O 1s x-ray-absorption spectra (XAS) of Ti4O7 taken at different temperatures in the range 50–300 K. The PES taken at 300 K show Ti 3d bands at the Fermi level and O 2p bands at higher binding energies. The Ti 3d bands shift approximately 0.25 eV towards higher binding energies in the low-temperature semiconducting phase (50 K). The O 1s XAS are related, via the corresponding metal-oxygen hybridization, to the unoccupied electronic states in the conduction band. The XAS taken at 300 K reflect Ti 3d bands at threshold and Ti 4sp bands at higher photon energies. The Ti 3d bands are split by crystal-field effects into t2g and eg subbands and shift approximately 0.45 eV towards higher photon energies in the low-temperature semiconducting phase (80 K). The XAS are basically temperature independent in both the low-temperature semiconducting phase and in the high-temperature metallic phase. The main changes in the O 1s XAS appear rather suddenly at the semiconductor-metal transition around 150 K.