Abstract
Using the local-density approximation with the augmented-plane-wave method, we have calculated the equation of state (EOS) and the electronic band structures of solid fcc krypton under high pressures and have estimated the metallization pressure to be 316 GPa. Within the Debye approximation with the Debye temperature and the thermodynamic Grüneisen parameter theoretically determined, we have calculated the thermal contribution to the EOS due to the lattice vibrations. The theoretical EOS at T = 300 K is in excellent agreement with experiments at room temperature below 45 GPa. We discuss reasons for the disagreement between the theoretical and experimental EOS found above 48 GPa.
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.
