A normal coordinate analysis of AMoO(4) crystals (A = Sr, Ba and Pb)

作者：Jindal Ruby^*; Gupta Hem Chandra; Sinha Murari Mohan

来源：Philosophical Magazine, 2014, 94(2): 208-220.

DOI：10.1080/14786435.2013.852285

• lattice dynamics
• Raman modes
• infrared modes

In this paper, we report on the lattice dynamical investigation of the Raman and the infrared frequencies of the tetragonal AMoO(4) (A=Sr, Ba and Pb) crystals obtained by normal coordinate analysis. The calculation of zone centre phonons has been made by using four stretching and five bending force constants. The calculated Raman and infrared wavenumbers are in very good agreement with the observed ones. The comparison of experimental and theoretical values for BaMoO4 has resulted in creating a benchmark for both Raman and infrared modes in case of AMoO(4) (A=Sr, Ba and Pb) crystals. The potential energy distribution has also been investigated for determining the significance of contribution from each force constant towards the Raman and the infrared frequencies.

• 出版日期2014-1-12