Abstract

The effects of pressure on the structure of ice XI-an ordered form of the phase of ice Ih, which is known to amorphize under pressure-are investigated theoretically using density-functional theory. We find that pressure induces a mechanical instability, which is initiated by the softening of an acoustic phonon occurring at an incommensurate wavelength, followed by the collapse of the entire acoustic band and by the violation of the Born stability criteria. It is argued that phonon collapse may be a quite general feature of pressure-induced amorphization. The implications of our findings for the amorphization of ice Ih are also discussed.

Full Text
Paper version not known

Talk to us

Join us for a 30 min session where you can share your feedback and ask us any queries you have

Schedule a call

Disclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.