Application of a Simple Semi-empirical Interatomic Potential Model to Phonon Density of States of Fe₃Al

We proposed a simple analytical interatomic potential model by extending the framework of embedded-atom model to include the non-central three-body potentials. This model can be easily applied to treat transition metals and their alloys based on the very recently developed lattice inversion method. We used the model to calculate the phonon density of states and entropy of Fe₃AI, and the results were in agreement with the experimental data.