Calculation of the infrared frequencies as a function oftemperature using the volume data in the ferroelectric phase ofnano2

Abstract

We calculate the temperature dependence of the infrared frequencies of the TO and LO modes with the symmetries of A(1), B-1 and B-2 mainly in the ferroelectric phase of NaNO2. This calculation is carried out using the volume dependence of the infrared frequencies through the mode Gruneisen parameter in this crystal. The volume dependences of the infrared frequencies are fitted to the observed frequencies by using constant mode Gruneisen parameter in the ferroelectric phase of NaNO2. Our results show that this method of calculating the infrared frequencies describes the observed behaviour of NaNO2 adequately.