Pressure-driven orbital reorientation and change in Mott-Hubbard gap in YTiO3

Details Pressure-driven orbital reorientation and change in Mott-Hubbard gap in YTiO3 Pressure-driven orbital reorientation and change in Mott-Hubbard gap in YTiO3

2005-04-15

arxiv.org/abs/cond-mat/0504383v1

J. Phys.: Condens. Matter 19, 406223 (2007)

Physics

Condensed Matter

Strongly Correlated Electrons

4 pages, 6 figures

Scientific paper

10.1088/0953-8984/19/40/406223

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 TiO_6 octahedra at around 10 GPa, indicating a pressure-driven spatial reorientation of the occupied Ti 3d(t_2g) 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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