Abstract
We have studied the band structure and the band gap closure in phase I of solid iodine under high pressure, using the methods based on the quasiparticle theory, i.e. GW approximation. Our calculations show that the band gap in the Cmca structure, which is the structure of the phase I of solid iodine, closes around 20 GPa. This pressure is near the upper boundary of phase I. We discuss the possible metallic transition in the molecular phase of solid iodine and the possible changes of the crystal structure.
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.
