Abstract
We have performed an ab initio study of structural, electronic, vibrational, and superconducting properties of Cr3RhN. The calculations have been carried out by employing the density functional theory, a linear-response formalism, and the plane-wave pseudopotential method. A striking feature of the phonon spectra in this cubic perovskite is the existence of a number of soft modes at the zone centre as well as at Brillouin zone boundaries. Calculations of the Eliashberg spectral function α2F(ω) and the electron-phonon prefactor α2(ω) reveal that the low frequency soft phonon branches couple more strongly with electrons. Using the calculated electron-phonon coupling parameter λ=1.03 and the logarithmically averaged frequency ωln=255 K, we suggest that this material is a superconductor with the transition temperature close to 17 K.
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.
