Electronic structure of B2-type Ti-(50 - x)Ni-xFe and Ti-(50 - x)Pd-xFe alloys exhibiting incommensurate diffuse scattering

Takuya Yamamoto, Takashi Fukuda, Tomoyuki Kakeshita

Research output: Contribution to journalArticlepeer-review

6 Citations (Scopus)

Abstract

We have calculated the electronic structure of B2-type Ti-(50 - x)Ni-xFe (0 ≤ x ≤ 28 at.%) and Ti-(50 - x)Pd-xFe (0 ≤ x ≤ 22 at.%) alloys in order to understand the origin of diffuse scattering appearing in these systems, and the stability of the B2-type structure. For both systems, the Fermi surface of each alloy shows nesting with a sharp peak in the generalized susceptibility χ(q) at a nesting vector of qn = [ζn ζn 0]2π/a. The value of ζn of the peak position decreases linearly as the Fe content increases. In addition, the peak of χ(q) decreases as the Fe content increases except for Ti-(50 - x)Ni-xFe with x ≤ 4 at.%. These results suggest that the position of diffuse scattering shifts towards its nearest fundamental reflection of the B2-phase as the Fe content increases and that the stability of the B2-phase increases with increasing Fe content. These suggestions are in good agreement with experimental results reported until now.

Original languageEnglish
Pages (from-to)239-242
Number of pages4
JournalMaterials Science and Engineering A
Volume481-482
Issue number1-2 C
DOIs
Publication statusPublished - 2008 May 25
Externally publishedYes

Keywords

  • Ab initio calculations
  • Diffuse scattering
  • Phonon softening
  • Precursor phenomena

ASJC Scopus subject areas

  • Materials Science(all)
  • Condensed Matter Physics
  • Mechanics of Materials
  • Mechanical Engineering

Fingerprint Dive into the research topics of 'Electronic structure of B2-type Ti-(50 - x)Ni-xFe and Ti-(50 - x)Pd-xFe alloys exhibiting incommensurate diffuse scattering'. Together they form a unique fingerprint.

Cite this