Theoretical study of the magnetic ordering in rare-earth compounds with face-centered-cubic structure

We present a detailed theoretical study of the magnetic ordering in heavy rare-earth compounds with a face-centered-cubic structure. In addition to the exchange interactions which are counted up to the third nearest neighbors, the effect of the dipolar interactions and magnetic anisotropic effect are also included in our model Hamiltonian. The interactions parameters are obtained from first-principles band-structure calculations by fitting the total energies of different magnetic configurations to the Heisenberg Model. Thus from utilizing the Monte Carlo simulations, we explained the formation of different magnetic structures in the rare-earth compounds.