Effect of Mn doping on charge density in γ-TiAl by quantitative convergent beam electron diffraction

R. Holmestad, J. M. Zuo, John Spence, R. Hoiert, Z. Horita

Research output: Contribution to journalArticlepeer-review

49 Scopus citations


The intermetallic compound TiAi with and without 5 at.% manganese, has been studied by energy filtered convergent beam electron diffraction (CBED) in a transmission electron microscope. The addition of Mn is known to be beneficial for the mechanical properties of this material. The aim has been to investigate whether this effect is followed by detectable changes in electronic structure, with the focus on bonding. From the positions of high-order Laue zone lines in the centre disc, the lattice tetragonality is found to decrease with the addition of Mn. By ALCHEMI studies, Mn is found to substitute randomly on Ti and Al sites. The structure factors are determined using multiparameter least-square minimization based on fitting between experimental and calculated intensity profiles. The X-ray structure factors for the nine lowest order reflections have been derived for doped and undoped material. The uncertainty is typically 0·3%, and is best for the strong, lowest order reflections. The electron deformation density maps show that the effect of doping with Mn is to draw charge away from nearest-neighbour covalent bonds and redistribute it more uniformly between second nearest neighbours which may enhance ductility.

Original languageEnglish (US)
Pages (from-to)579-601
Number of pages23
JournalPhilosophical Magazine A: Physics of Condensed Matter, Structure, Defects and Mechanical Properties
Issue number3
StatePublished - Sep 1995

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • General Materials Science
  • Condensed Matter Physics
  • Physics and Astronomy (miscellaneous)
  • Metals and Alloys


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