Strong-coupling electron-phonon superconductivity in noncentrosymmetric quasi-one-dimensional K2_2Cr3_3As3_3

preprint2015arXivOpen access

Abstract

I study the lattice dynamics and electron-phonon coupling in non-centrosymmetric quasi-one-dimensional K2_2Cr3_3As3_3 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−1^{-1}. The phonon modes that show large coupling involve in-plane motions of all three species of atoms. The q\mathbf{q} dependent electron-phonon coupling decreases strongly away from the qz=0q_z = 0 plane. The total electron-phonon coupling is large with a value of λep=3.0λ_{\textrm{ep}} = 3.0, which readily explains the experimentally observed large mass enhancement.

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