Crystallographic structure and electron density of Ba1-x PbxTiO3 ceramic

Research output: Contribution to journalArticlepeer-review

2 Citations (Scopus)

Abstract

The effect of Pb on crystallographic structure and electron density of Ba1-xPbxTiO3 ceramic, where x (nominal) = 0.5, has been investigated by XRD Phillips 1877. The samples were synthesized using powder metallurgy method from BaCO3, PbCO3 and TiO2, with purity better than 99%, available commercially from E-Merck. The x-ray diffraction data obtained at room temperature were refined using the crystallographic software package GSAS. The structural analysis shows that the crystal is Ba0.7Pb0.3TiO3 with the perovskite-type BaTiO3 structure, the space group is tetragonal P4mm with a = 3.943(1) Å, c = 4.055 Å and V = 63.035 Å3. These results imply that Pb has no effect on the non-centrosymmetric structural change of barium titanate, except to slightly contract a and b parameters and to extend c parameter, the c/a ratio becomes 1.03. The studies on electron density show that the electron density measurements are consistent with the calculated structural parameters, it has maximum Δρ = 7.965 eÅ -3 and minimum_Δρ = -2.555 eÅ-3. The final results show that there is an increasing of electron density at the substitute ion positions with maximum ρ = 180.069 eÅ -3 and 172,105 eÅ-3 for the observed and the calculated values, respectively. These values are greater than the one from barium titanate. Approximately, the observed (calculated) maximum electron density increases by 56% (53%) as 33% Pb substitutes Ba.

Original languageEnglish
Pages (from-to)3096-3102
Number of pages7
JournalJournal of Applied Sciences
Volume6
Issue number15
DOIs
Publication statusPublished - 1 Jan 2006

Keywords

  • Barium titanate
  • Electron density
  • Lead titanate
  • X-ray diffraction

Fingerprint Dive into the research topics of 'Crystallographic structure and electron density of Ba<sub>1-x</sub> Pb<sub>x</sub>TiO<sub>3</sub> ceramic'. Together they form a unique fingerprint.

Cite this