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Infrared-active phonons in one-dimensional materials and their spectroscopic signatures - npj Computational Materials
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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 charges drive the LO-TO splitting of bulk materials; this splitting actually breaks down in two-dimensional materials. Here, we develop the theory for one-dimensional (1D) systems—nanowires, nanotubes, and atomic and polymeric chains.
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