High-pressure structural behavior of the double perovskite Sr2CrReO6: an experimental and theoretical study

J.S. Olsen, Leif Gerward, G. Vaitheeswaran, V. Kanchana, L. Alff

Research output: Contribution to journalConference articleResearchpeer-review

Abstract

The high-pressure structural behavior of Sr2CrReO6 has been studied experimentally using synchrotron radiation and the diamond anvil cell and theoretically using density functional theory. The experimental zero-pressure bulk modulus is B0=1704GPa and the pressure derivative is B0'=4.71.0. These results compare well with the calculated values 172.6GPa and 5.7. A pseudo-cubic unit cell can describe the crystal structure at low pressure, but the tetragonal structure becomes evident at high pressure.
Original languageEnglish
JournalHigh Pressure Research
Volume29
Issue number1
Pages (from-to)83-86
ISSN0895-7959
DOIs
Publication statusPublished - 2009

Keywords

  • equation of state
  • double perovskite Sr2CrReO6
  • density functional theory
  • phase transformation
  • bulk modulus
  • X-ray diffraction

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