Electron Density Distributions in Ti2O3 and V2O3 Experiment and Theory

  • J. Ashkenazi
  • M. G. Vincent
  • K. Yvon


Electron density deformation maps of Ti2O3 and V2O3 at room temperature have been obtained by Fourier analysis of carefully measured X-ray diffraction intensities from spherical single crystals. They have been compared with theoretical maps based on a band calculation, including self-consistently, the effect of intra-atomic electron-electron interactions. The results agree concerning the different natures of the occupied 3d sub-bands, and the corresponding metal-metal bonds in these substances.


Electron Density Distribution Contour Interval Deformation Density Negative Deformation Close Oxygen 


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Copyright information

© Springer Science+Business Media New York 1981

Authors and Affiliations

  • J. Ashkenazi
    • 1
  • M. G. Vincent
    • 2
  • K. Yvon
    • 2
  1. 1.Section de Physique, DPMCUniversité de Genève1211 GenevaSwitzerland
  2. 2.Laboratoire de Cristallographie aux Rayons XUniversité de Genève1211 GenèvaSwitzerland

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