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Rare-Earth Ions in the Alkali Halides. III. Electron-Lattice Coupling and the Details of the Vibronic Spectra
65
Citations
10
References
1965
Year
Vibronic InteractionEngineeringPhysicsElectron-lattice CouplingNatural SciencesApplied PhysicsRare-earth IonsPhysical ChemistryAlkali HalidesVibrational ModesComputational ChemistryElectron-lattice InteractionQuantum ChemistryChemistryElectronic StructureSpectra-structure CorrelationAb-initio MethodIon Structure
Electron-lattice interaction is discussed for the case of rare-earth ions in the alkali halides. A selection rule is derived to show that for the present defect electronic transitions can be coupled only to vibrational modes of ${A}_{1}$ symmetry. Under the assumption of electrostatic coupling between the electron and the lattice vibrations, a coupling function is derived which is proportional to the projection of the field of the electron under-going a transition on to the eigenvectors of the vibrations. It is further shown that this coupling function can be determined from the details of the structural form of the vibronic spectra. A number of other features of the vibronic spectra are accounted for through the properties of Franck-Condon integrals.
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