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

I. Loa, Xin Wang, K. Syassen, H. Roth, T. Lorenz, M. Hanfland, Y-L Mathis

Research output: Contribution to journalArticlepeer-review

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.

Original languageEnglish
Article number406223
Number of pages9
JournalJournal of Physics: Condensed Matter
Volume19
Issue number40
DOIs
Publication statusPublished - 10 Oct 2007

Keywords / Materials (for Non-textual outputs)

  • TRANSITION-METAL OXIDES
  • high pressure
  • PEROVSKITES
  • crystal structure
  • infrared and Raman spectroscopy

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