Abstract
We use electron momentum density in ice as a tool to quantify order-disorder transitions by comparing Compton profiles differences of ice VI, VII, VIII, and XII with respect to ice Ih. Quantitative agreement is found between theory and experiment for ice VIII, which is the fully hydrogen ordered phase. Robust signatures of the oxygen disorder are identified in the momentum density for the VIII-VII ice phase transition. The unique aspect of this work is the determination of the fraction ${n}_{e}$ of electron directly involved in phase transitions as well as the use of position space signatures for quantifying oxygen site disorder.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
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.