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Title: Lattice-dynamics study of Cs/sub 2/SiF/sub 6/ with application to the vibronic optical spectra of MnF/sup -2//sub 6/ in Cs/sub 2/SiF/sub 6/

Journal Article · · Phys. Rev., Sect. B. Condens. Matter; (United States)

Neutron scattering, Raman, and infrared absorption measurements have been made to study the lattice dynamics of cesium hexafluorosilicate (IV), a cubic antifluorite-type material. Dispersion relations for normal modes of vibration, with energies less than 20 meV (160 cm/sup -1/), along the (xi00), (xixixi), and (xixi0) symmetry directions have been determined by coherent-inelastic-neutron-scattering experiments. Light scattering measurements were used to determine the Raman-active zone-center vibrations, while infrared spectra showed both fundamental and combination bands. The rigid-ion lattice-dynamics model of O'Leary and Wheeler was fit to the available experimental data, and gave a reasonably good representation of the lattice dynamics. The model was then used to calculate the phonon density of states for Cs/sub 2/SiF/sub 6/. Phonon structure present in the luminescence spectra of MnF/sub 6//sup -2/ in Cs/sub 2/SiF/sub 6/ has been compared with the Cs/sub 2/SiF/sub 6/ phonon-density-of-states calculation. Selection rules have been used to assign the low-energy vibronic structure to high-symmetry critical points in the Brillouin zone of Cs/sub 2/SiF/sub 6/.

Research Organization:
Department of Chemistry, University of Maine, Orono, Maine 04473
OSTI ID:
6317248
Journal Information:
Phys. Rev., Sect. B. Condens. Matter; (United States), Vol. 19:2
Country of Publication:
United States
Language:
English