Abstract
The study of phonons in thalium fluoroborate is very important in order to understand the phenomenon of phase transition in perchlorates and fluoroborates.Few studies of structural phase transition have been made of perchlorates and fluoroborates with a higher thalium ion, but their zone center phonons have not been investigated thoroughly. In order to understand the above, the Raman and the infrared frequencies of thalium fluoroborate have been investigated for the first time theoretically in its orthorhombic phase of space group Pnma. A short range force constant model (SRFCM) as well as rigid ion model (RIM) with stretching and bending force constants has been applied to obtain the zone center Raman and infrared phonons. The calculated values of Raman and infrared phonons are in very good agreement with the available observed values. The effect of these calculated interatomic force constants on the phase transition of thalium fluoroborate is discussed.
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