Abstract
The high-pressure behavior of alumina has been investigated by first-principles computations throughout the range of calibration of the ruby pressure scale. It is found that at 0 K the transformation from corundum to Rh2O3II-type alumina at 87– 113 GPa is followed by a second one to the CaIrO3 structure at 150– 172 GPa. Quasiharmonic free-energy calculations show that both transformations display negative Clapeyron slope, which is a consequence of the decrease in polyhedral connectivity along the structural sequence. Like the first transformation, the second one should also have significant effects on the ruby pressure scale, especially if ruby is cycled across the phase boundaries.
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.
