Synthesis and characterization of Co-Ti-Sn alloys: Co1.5TiSn as half-metal based on the Fe1.5TiSb layered Heusler prototype

N. Naghibolashrafi*, Shambhu KC, Vinay I. Hegde, J. Ma, A. Gupta, P. LeClair, W. H. Butler, C. Wolverton, Avik W. Ghosh

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

1 Scopus citations

Abstract

The Co-Ti-Sn family of alloys from their half- to full-Heusler compositions are synthesized. Co1.5TiSn, a compound predicted by our theoretical calculations, is successfully synthesized in the L21 structure with cobalt vacancies in the tetrahedral sites. The saturated magnetic moment at 5 K is measured to be ~ 0.6 μB∕formula unit, consistent with density functional theory (DFT) predictions of half-metallicity in the compound. A cluster expansion-based analysis of the alloy system indicates the Co1.5TiSn compound to be nearly on the convex hull, within DFT accuracy. Our experimental realization of the Co1.5TiSn compound suggests that it is either kinetically or entropically stabilized.

Original languageEnglish (US)
Article number166501
JournalJournal of Alloys and Compounds
Volume924
DOIs
StatePublished - Nov 30 2022

Keywords

  • Crystal structure
  • Density functional theory
  • Magnetism
  • Solid state reactions
  • Transition metal alloys and compounds
  • X-ray diffraction

ASJC Scopus subject areas

  • Mechanics of Materials
  • Mechanical Engineering
  • Metals and Alloys
  • Materials Chemistry

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