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Analysis of the peak position and linewidth as a function of temperature for the phase transitions in LiKSO4

Analysis of the peak position and the linewidths of various infrared modes is performed at high (300-850 K) and low (1.5-300 K) temperatures using the experimental data from the literature for LiKSO4 which exhibits a sequence of phase transitions. The temperature dependences of the frequency and the linewidth which are derived from the anharmonic self-energy are fitted to the observed peak positions and the linewidths of the S-O stretching modes (internal nu(3) modes at 1135 cm(-1) and at 1180 cm(-1)), peak position of the S-O bending nu(4) (internal) modes, the peak position and the linewidth of the Li mode at 429 cm(-1) (external mode), and of the infrared band at 363 cm(-1) for LiKSO4.