Structural stability of a golden semiconducting orthorhombic polymorph of Ti2O3 under high pressures and high temperatures

J Phys Condens Matter. 2010 Sep 22;22(37):375402. doi: 10.1088/0953-8984/22/37/375402. Epub 2010 Aug 31.

Abstract

An orthorhombic polymorph of titanium oxide (Ti(2)O(3)) has been synthesized at high pressure-high temperature (HP-HT) conditions. It has been refined in the Pnma space group and the Th(2)S(3) structural type with the unit cell parameters as follows: a = 7.8248(6) Å, b = 2.8507(4) Å, c = 8.0967(3) Å, V = 180.61(1) Å(3) and Z = 4. The samples of Pnma-Ti(2)O(3) were of a golden colour, in contrast to the conventional black corundum-structured Ti(2)O(3). The structural stability of this polymorph has been examined by simultaneous Raman and x-ray diffraction studies under high pressure over 70 GPa and high temperature over 2200 K. No phase transformations or chemical reactions have been established. The electrical resistivity of Th(2)S(3)-structured Ti(2)O(3) samples showed a semiconducting behaviour and, at ambient conditions, was equal to 0.20-0.46 Ω cm. Conventional near-infrared absorption spectroscopy established the absence of energy gaps above 0.25 eV.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Computer Simulation*
  • Crystallization / methods*
  • Hot Temperature
  • Models, Chemical*
  • Oxides / chemical synthesis
  • Oxides / chemistry*
  • Pressure
  • Semiconductors
  • Spectrum Analysis, Raman / methods
  • Titanium / chemistry*
  • X-Ray Diffraction / methods

Substances

  • Oxides
  • Titanium