2015/08/04 by Alaska Subedi · 33 citations
Chemistry · Materials Science · Physics and Astronomy · #Condensed matter physics #Coupling (piping) #Electron #Inorganic Chemistry and Materials #Iron-based superconductors research #Lambda #Lattice (music) #Materials science #Phonon #Physics #Quantum mechanics #Rare-earth and actinide compounds #Superconductivity #cond-mat.supr-con
paper · pdf · doi:10.1103/physrevb.92.174501
published in Physical Review B 92(17) (American Physical Society)
arxiv created 2015/08/04 · openalex publication_date 2015/11/02 · arxiv updated 2016/04/13 · openalex created_date 2016/06/24 · openalex updated_date 2026/08/05
I study the lattice dynamics and electron-phonon coupling in noncentrosymmetric quasi-one-dimensional K2Cr3As3 using density functional theory based first principles calculations. The phonon dispersions show stable phonons without any soft-mode behavior. They also exhibit features that point to a strong interaction of K atoms with the lattice. I find that the calculated Eliashberg spectral function shows a large enhancement around 50 cm^\ensuremath-1. The phonon modes that show large coupling involve in-plane motions of all three species of atoms. The q dependent electron-phonon coupling decreases strongly away from the qz=0 plane. The total electron-phonon coupling is large, with a value of \ensuremathλep=3.0, which readily explains the experimentally observed large mass enhancement.