Abstract
A rigid-ion model has been used in conjunction with molecular dynamics calculations to investigate the structure and dynamics of RbCaF3. The effect of cooling the high-temperature cubic phase has been studied using the constant-pressure constant-temperature technique. Below about 150 K we find evidence of transitions to tetragonal and orthorhombic structures. The phase transition, which involves the cooperative rotation of CaF6 octahedra, is shown to be of the classic displacive type.
Sign-in/Register to access full text options 
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 callDisclaimer: 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.
