Elastic stability of CO2 phase I under high temperature and pressure Journal Article uri icon

DCO ID 11121/8147-8659-1342-4971-CC

is Contribution to the DCO

  • YES

year of publication

  • 2018


  • Carbon dioxide exhibits a richness of high-pressure polymorphs ranging from typical molecular solids to fully extended covalent solids, which, in turn, makes it a very appealing topic of fundamental research in condensed-matter physics and simultaneously provides valuable insights into the routes of developing possibly novel materials with advanced properties. The single-crystal x-ray diffraction (XRD) and Brillouin scattering spectroscopy of CO2−I were performed under high temperature and pressure. Densities, acoustic velocities, and elastic moduli of CO2−I were obtained along 300-, 400-, and 580-K isotherms up to the phase-transition boundaries. CO2−I transforms to phase III and phase IV at room temperature (at 12.19 GPa) and 580 K (at 10.83 GPa), respectively. It was observed that high temperature suppresses pressure-induced stress in single-crystal CO2−I. All elastic constants and thermal elasticity parameters of CO2−I were obtained and analyzed using finite-strain theory and thermal equation of state modeling. The 11, C12, andK increase almost linearly with pressure, while shear moduli C44and G exhibit a downward trend with pressure, showing a noticeable reduction at higher temperature. Elastic anisotropy A is practically independent of pressure along each isotherm and increases from 1.75 to 1.9.

publication date

  • 2018


  • 98


  • 13