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摘要
The lattice constants of the rare earth intermetallic compounds RT4Al8 (R=Nd, Sm; T=Cr, Mn, Cu, Fe) with ThMn12-type structure were evaluated. This calculation was based on the interatomic potentials related to the rare earth and transition metals, which were obtained by a lattice inversion method. The results are in agreement with experiments. The total and partial phonon densities of states for these materials are also presented. The analysis for the inverted potentials explains qualitatively the contributions of different atoms to the vibrational modes.
