An experimental evidence for the Pb-O hybridization was reported as Pb-O covalent bonding electron distribution in the charge density distribution of tetragonal PbTiO3. A high energy synchrotron X-ray powder diffraction data was collected for the analysis of the compounds during the study. Maximum entropy method (MEM)/Rietveld technique was used to determine the electron density distributions. The results indicated the existence of strong covalency in the tetragonal compound as compared to that having a cubic structure. The tertragonal PbTiO3 was found to form a layered structure of a two-dimensional covalent-bonding network consisting of the Ti-O5 pyramid.
|Number of pages||4|
|Journal||Physical Review Letters|
|Publication status||Published - 2001 Nov 19|