Optical study of H2O ice to 120 GPa: dielectric function, molecular polarizability, and equation of state

J Chem Phys. 2007 Feb 21;126(7):074506. doi: 10.1063/1.2463773.

Abstract

The refractive index of H2O ice has been measured to 120 GPa at room temperature using reflectivity methods. The refractive index increases significantly with pressure on initial compression and exhibits small changes with pressure at previously identified phase transitions. Pressure dependencies of the molecular polarizability show changing slopes in different pressure regions. A general molar refractivity analysis of this change in slope reveals features at 60 GPa due to the onset of the ice VII-X transition. Band gap closure in H2O ice is constrained by the dispersion data using a single oscillator dielectric model. Sample thickness measurements obtained from interference patterns yield pressure-volume relations in excellent agreement with those measured by x-ray diffraction.

Publication types

  • Research Support, N.I.H., Extramural
  • Research Support, U.S. Gov't, Non-P.H.S.

MeSH terms

  • Electrochemistry*
  • Models, Chemical*
  • Phase Transition
  • Pressure
  • Statistics as Topic
  • Thermodynamics
  • Water / chemistry*
  • X-Ray Diffraction

Substances

  • Water