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20222026
most citedDensity-functional perturbation theory for one-dimensional systems: implementation and relevance for phonons and electron-phonon interactions

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cond-mat.mtrl-sci2022

Infrared-active phonons in one-dimensional materials and their spectroscopic signatures

Norma Rivano, Nicola Marzari, Thibault Sohier

Dimensionality provides a clear fingerprint on the dispersion of infrared-active, polar-optical phonons. For these phonons, the local dipoles parametrized by the Born effective cha…