ABSTRACT
The lattice dynamics of the chalcopyrite CuFeS2 have been analysed with three different models: a short range model with 8 force constants, a rigid-ion model with 8 force constants as well and two ion charges as adjustable parameters and a rigid-ion model under exclusion of the macroscopic field with 5 parameters only. In all three models the agreement between observed and calculated frequencies is within the accuracy of the experimental data. Force constants are presented for all and normal co-ordinates for the calculations with the short range model. As expected, normal co-ordinates are independent of the model used.
