Abstract
Using density functional calculations, spontaneous polarisation of proton-ordered ferroelectric ice XI phase is calculated for the first time. Spontaneous polarisation along the c-axis of orthorhombic structure is calculated to be , which corresponds to water dipole moment 3.3 D. We have performed systematic calculation of the water dipole moment in proton-ordered ice without ambiguity.
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.