Abstract
The structural phase transition and thermodynamic properties of CdN under high pressure and temperature are investigated by first-principles calculations based on the plane-wave pseudopotential density functional theory method combined with the quasi-harmonic Debye model. It can be found that the rocksalt phase of CdN is more stable than the zincblende phase in the pressure range of 0–100 GPa based on the enthalpy versus pressure relations. The variations of the volume, thermal expansion, specific heat, entropy, and Debye temperature with pressure and temperature of CdN in rocksalt structure are obtained systematically for the first time.
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.
