title: Crystal structure and the Mott-Hubbard gap in YTiO(3) at high pressure.
abstract: The crystal structure of YTiO(3) 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 TiO(6) 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 YTiO(3), and the results are interpreted on the basis of the structural and possible orbital orientation changes.
authors: Max-Planck-Institute for Solid State Research, Heisenbergstrasse 1, D-70569 Stuttgart, Germany.
authors: I
authors: I
authors: Loa
authors: X
authors: X
authors: Wang
authors: K
authors: K
authors: Syassen
authors: H
authors: H
authors: Roth
authors: T
authors: T
authors: Lorenz
authors: M
authors: M
authors: Hanfland
authors: Y-L
authors: YL
authors: Mathis