Optical absorption of non-interacting tight-binding electrons in a Peierls-distorted chain at half band-filling

Physics – Condensed Matter

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17 pages REVTEX 3.0, 2 postscript figures; hardcopy versions before May 96 are obsolete; accepted for publication in The Philo

Scientific paper

In this first of three articles on the optical absorption of electrons in half-filled Peierls-distorted chains we present analytical results for non-interacting tight-binding electrons. We carefully derive explicit expressions for the current operator, the dipole transition matrix elements, and the optical absorption for electrons with a cosine dispersion relation of band width $W$ and dimerization parameter $\delta$. New correction (``$\eta$''-)terms to the current operator are identified. A broad band-to-band transition is found in the frequency range $W\delta < \omega < W$ whose shape is determined by the joint density of states for the upper and lower Peierls subbands and the strong momentum dependence of the transition matrix elements.

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