Frequency dependence of the quasi-soft Raman-active modes in rotationally distorted R(3+)B(3+)O3 perovskites (R(3+)-rare earth, B(3+)=Al, Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Ga)

J Phys Condens Matter. 2012 May 2;24(17):175404. doi: 10.1088/0953-8984/24/17/175404. Epub 2012 Apr 5.

Abstract

The structural data and Raman spectra of distorted R(3+)B(3+)O(3) perovskites (R(3+)-rare earth, B(3+)=Al, Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Ga) with BO(6) octahedral tilts were critically reviewed in order to obtain the frequency (ω) versus BO(6) tilt angle (α) dependence of the quasi-soft vibrational modes. It was found that the relation ω = ϰα is satisfied in a good approximation for each RBO(3) family with fixed B atom, despite the different spatial tilt orientations for compounds of the same series with either orthorhombic Pnma or rhombohedral R ̅3c structure. The dependence of the proportionality coefficient ϰ on the averaged <B-O> octahedral distance can be described using different functions (power, linear and exponential ones). The established dependences can be used for analysis of Raman data and heuristic prediction of structural second-order transitions.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Boron / chemistry
  • Calcium Compounds / chemistry*
  • Coordination Complexes / chemistry*
  • Crystallography, X-Ray
  • Iron / chemistry*
  • Metals, Rare Earth / chemistry*
  • Models, Molecular
  • Models, Statistical
  • Molecular Conformation
  • Oxides / chemistry*
  • Oxygen / chemistry
  • Reproducibility of Results
  • Spectrum Analysis, Raman / methods*
  • Temperature
  • Titanium / chemistry*
  • Vibration

Substances

  • Calcium Compounds
  • Coordination Complexes
  • Metals, Rare Earth
  • Oxides
  • perovskite
  • Titanium
  • Iron
  • Boron
  • Oxygen