Pressure-induced structural phase transition in the half-Heusler compound CaAuBi

Lilia S. Xie, Leslie M. Schoop, Sergey A. Medvedev, Claudia Felser, R. J. Cava

Research output: Contribution to journalArticlepeer-review

15 Scopus citations

Abstract

We report a structural phase transition of the ternary compound CaAuBi under pressure, from the known cubic half-Heusler phase to a hexagonal LiGaGe type phase, based on synchrotron X-ray diffraction patterns taken under pressures up to 18 GPa. We report lattice parameters and atomic coordinates, and perform total energy calculations for both the cubic and hexagonal phases under different pressures. Finally, we present a structure map that places CaAuBi in the context of related 18 electron XYZ ternary systems.

Original languageEnglish (US)
Pages (from-to)6-10
Number of pages5
JournalSolid State Sciences
Volume30
DOIs
StatePublished - Apr 1 2014

All Science Journal Classification (ASJC) codes

  • Chemistry(all)
  • Materials Science(all)
  • Condensed Matter Physics

Keywords

  • CaAuBi
  • Half-Heusler
  • High pressure
  • X-ray diffraction

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