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Crystal structure and the Mott-Hubbard gap in YTiO3 at high pressure

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Loa,  I.
Former Scientific Facilities, Max Planck Institute for Solid State Research, Max Planck Society;

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Wang,  X.
Scientific Facility Crystal Growth (Masahiko Isobe), Max Planck Institute for Solid State Research, Max Planck Society;

/persons/resource/persons280575

Syassen,  K.
Former Scientific Facilities, Max Planck Institute for Solid State Research, Max Planck Society;
Department Solid State Quantum Electronics (Jochen Mannhart), Max Planck Institute for Solid State Research, Max Planck Society;

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Citation

Loa, I., Wang, X., Syassen, K., Roth, H., Lorenz, T., Hanfland, M., et al. (2007). Crystal structure and the Mott-Hubbard gap in YTiO3 at high pressure. Journal of Physics: Condensed Matter, 19(40): 406223.


Cite as: https://hdl.handle.net/21.11116/0000-000E-B82D-1
Abstract
The crystal structure of YTiO3 at high pressures up to 30 GPa has been investigated by means of synchrotron x- ray powder diffraction ( T = 295 K). The variation of the Ti - O bond lengths with pressure evidences a distinct change in the distortion of the TiO6 octahedra at around 10 GPa, which is discussed in terms of a pressure- driven spatial reorientation of the occupied Ti 3d( t(2g)) orbitals. Mid- infrared synchrotron microspectroscopy has been used to determine quantitatively the pressure- induced reduction of the optical bandgap of YTiO3, and the results are interpreted on the basis of the structural and possible orbital orientation changes.