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Defects in the surface region of a reducible oxide, as TiO2, have a profound effect on applications, while their nature is very much influenced by the possibility of small polaron formation. Here, we probe rutile (110) and anatase (101) single crystals via high-resolution ultraviolet photoelectron spectroscopy and resolve multiple components of the well-known defect state in the band gap. In rutile, we find two at VBM+2.1 eV and VBM+1.4 eV, which we assign to subsurface polaron traps and vacancy-bound states, respectively, confirming the predicted partial suppression of polaron formation at high vacancy concentration. New defects are created in situ on the anatase surface by the synchrotron beam. We assign a component at VBM+2.3 eV, which can be removed by annealing, to polaron states associated with surface oxygen vacancies. We also identify a second component at VBM+1.6 eV, which can not be removed by annealing, and is too deep to be associated with oxygen vacancies.
We present theoretical evidence for local magnetic moments on Ti3+ ions in oxygen-deficient anatase and rutile TiO2 observed in a recent experiment [S. Zhou, et al., Phys. Rev. B 79, 113201 (2009)]. Results of our first-principles GGA+U calculations
The nuclear quadrupole interaction of the I=5/2 state of the nuclear probes 111Cd and 181Ta in the anatase and rutile polymorphs of bulk TiO2 was studied using the time differential perturbed angular correlation (TDPAC). The fast-slow coincidence set
We develop a first-principles approach based on many-body perturbation theory to investigate the effects of the interaction between electrons and carrier plasmons on the electronic properties of highly-doped semiconductors and oxides. Through the eva
We report on structural, magnetic and electronic properties of Co-implanted TiO2 rutile single crystals for different implantation doses. Strong ferromagnetism at room temperature and above is observed in TiO2 rutile plates after cobalt ion implantat
Oxygen vacancies created in anatase TiO2 by UV photons (80 - 130 eV) provide an effective electron-doping mechanism and induce a hitherto unobserved dispersive metallic state. Angle resolved photoemission (ARPES) reveals that the quasiparticles are l