Phonons at the zone center for α-NaAlH4 Original Research Article

A short-range force constant model has been applied for the first time to investigate the phonons in α-NaAlH4 having body centered tetragonal Scheelite structure .The normal symmetry coordinates for the Scheelite structure were computed to investigate the phonons at the zone center. The phonons for α-NaAlH4 have been calculated involving five stretching and two bending force constants .The calculated Raman frequencies exhibit good agreement with the available measured values. The infrared frequencies have been assigned proper modes for the first time.