Abstract

Oscillations of nuclear wave packets (NWPs) in the excited state of the F-center in four alkali halides, potassium chloride (KCl), potassium bromide (KBr), potassium iodide (KI), and rubidium chloride (RbCl), are investigated. In KCl, the dominant mode is the LO mode near the zone center in the Brillouin zone. In KBr, the NWP oscillation consists mainly of the LO mode near the zone center and the LA modes near the singularity points in the [1 0 0] and/or [1 1 0] crystal directions. In KI, the totally symmetric local mode is dominant in the NWP oscillation. In RbCl, the LO mode near the zone boundary [1 0 0] predominantly forms the NWP oscillation. We comprehensively elucidate correspondences and differences between the present results and the resonance Raman spectra by considering the spatial extension of the electronic wave function and the perturbed phonon density of states.

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