The bulk modulus of cubic spinel selenides: an experimental and theoretical study

A. Waskowska, Leif Gerward, J.S. Olsen, M. Marques, J. Contreras-Garcia, J.M. Recio

Research output: Contribution to journalConference articleResearchpeer-review

Abstract

It is argued that mainly the selenium sublattice determines the overall compressibility of the cubic spinel selenides, AB2Se4, and that the bulk modulus for these compounds is about 100GPa. The hypothesis is supported by experiments using high-pressure X-ray diffraction and synchrotron radiation, and by first-principles calculations using density functional theory.
Original languageEnglish
JournalHigh Pressure Research
Volume29
Issue number1
Pages (from-to)72-75
ISSN0895-7959
DOIs
Publication statusPublished - 2009

Keywords

  • equation of state
  • density functional theory
  • spinel arrangement
  • bulk modulus
  • X-ray diffraction

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