Abstract
The structural, electronic and vibrational properties of atomic wires composed of the early alkali metals lithium and sodium are studied using the density functional perturbation theory. The s-like electronic states near the Fermi level couple very weakly to longitudinal acoustic phonons and not at all to the transverse acoustic phonons, which results in a weak overall electron–phonon coupling. The results are compared to earlier studies on the electron–phonon coupling in metallic atomic wires and reinforce the idea that s-like states at the Fermi level give rise to weak electron–phonon coupling in one-dimension, in contrast with materials containing d-like states at the Fermi level which have correspondingly larger electron–phonon coupling due to interactions with transverse phonons.
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