Phonon-mediated superconductivity in quasi-1D Sc3CoC4
1 Beijing Computational Science Research Center - No 3 HeQing Road, Haidan district, Beijing, 100082, China
2 Department of Physics and Engineering Physics, University of Saskatchewan - Saskatoon, S7N 5E2, Canada
Received: 22 November 2012
Accepted: 5 December 2012
The mechanism for the superconductivity observed in quasi-1D Sc3CoC4 has been investigated with density functional theory. No evidence supporting a charge density wave distortion in the superconducting state was found. Instead, the conventional phonon-mediated theory was shown to be valid. Solutions to Eliashberg equations for partitioned vibrational modes permit the characterization of important electron-phonon processes. The superconducting state is the result of interactions between the electronic structure with the lattice vibrations and the dicarbo-C2 librations.
PACS: 74.20.Pq – Electronic structure calculations / 31.70.Ks – Molecular solids / 31.15.A- – Ab initio
© EPLA, 2012