Abstract

It is shown that the additional excitation observed in the phonon spectrum of La 2 Cu O 4 may arise from Cu charge fluctuations. A nonlinear breathing shell model is formulated for the coupling of these fluctuations with the lattice. A molecular dynamics simulation shows an additional peak of nonphononic character originated by the nonlinear lattice dynamics. It is shown that a 2-dimensional model of the same characteristics is able to describe phonon branches which involve the CuO 2 planes.

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