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I study the lattice dynamics and electron-phonon coupling in non-centrosymmetric quasi-one-dimensional K$_2$Cr$_3$As$_3$ 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$^{-1}$. The phonon modes that show large coupling involve in-plane motions of all three species of atoms. The $mathbf{q}$ dependent electron-phonon coupling decreases strongly away from the $q_z = 0$ plane. The total electron-phonon coupling is large with a value of $lambda_{textrm{ep}} = 3.0$, which readily explains the experimentally observed large mass enhancement.
We report the discovery of bulk superconductivity (SC) at 6.1 K in a quasi-one-dimensional (Q1D) chromium pnictide K$_2$Cr$_3$As$_3$ which contains [(Cr$_3$As$_3$)$^{2-}$]$_{infty}$ double-walled subnano-tubes with face-sharing Cr$_{6/2}$ (As$_{6/2}$
Following the discovery of superconductivity in quasi-one-dimensional K$_2$Cr$_3$As$_3$ containing [(Cr$_3$As$_3$)$^{2-}$]$_{infty}$ chains [J. K. Bao et al., arXiv: 1412.0067 (2014)], we succeeded in synthesizing an analogous compound, Rb$_2$Cr$_3$A
We present neutron total scattering and density functional theory studies on quasi-one-dimensional superconducting K$_2$Cr$_3$As$_3$ revealing a frustrated structural instability. Our first principles calculations find a significant phonon instabilit
The recent discovery of superconductivity in the quasi-one-dimensional compound K$_2$Cr$_3$As$_3$, which consists of double-walled tubes of [(Cr$_3$As$_3$)$^{2-}]^infty$ that run along the c axis, has attracted immediate attention as a potential syst
Impurity scattering in a superconductor may serve as an important probe for the nature of superconducting pairing state. Here we report the impurity effect on superconducting transition temperature $T_mathrm{c}$ in the newly discovered Cr-based super