F. Gebhard et al., OPTICAL-ABSORPTION OF NONINTERACTING TIGHT-BINDING ELECTRONS IN A PEIERLS-DISTORTED CHAIN AT HALF BAND-FILLING, Philosophical magazine. B. Physics of condensed matter. Statistical mechanics, electronic, optical and magnetic, 75(1), 1997, pp. 1-12
In this, the first of three articles on the optical absorption of elec
trons in half-filled Peierls-distorted chains, we present analytical r
esults for non-interacting tight-binding electrons. We carefully deriv
e explicit expressions for the current operator, the dipole transition
matrix elements and the optical absorption for electrons with a cosin
e dispersion relation of bandwidth 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 f
or the upper and lower Peierls subbands and the strong momentum depend
ence of the transition matrix elements.