Pressure-driven orbital reorientation and change in Mott-Hubbard gap in YTiO3
Abstract
We investigate the crystal structure of YTiO3 at high pressures up to 30 GPa by 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, indicating a pressure-driven spatial reorientation of the occupied Ti 3d(t2g) orbitals. The pressure-induced reduction of the optical band gap of YTiO3 is determined quantitatively by mid-infrared synchrotron micro-spectroscopy and discussed in terms of bond length and orbital orientation changes.
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