Abstract
I study the lattice dynamics and electron-phonon coupling in non-centrosymmetric quasi-one-dimensional KCrAs 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. The phonon modes that show large coupling involve in-plane motions of all three species of atoms. The dependent electron-phonon coupling decreases strongly away from the plane. The total electron-phonon coupling is large with a value of , which readily explains the experimentally observed large mass enhancement.
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