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The intermetallics R2Co17−xMnx (R=Dy, Ho) have been studied to ascertain the effect of partial replacement of Co by Mn on their phase stability and site preference. Calculation is based on a series of interatomic pair potentials related to the rare earth and transition metals, which are obtained by a strict lattice inversion method. Our results indicate that the Mn atom can stabilize R2Co17−xMnx with...
The stability of Nd(Fe,T) 12 and the site preference of ternary elements T (T=Ti, V, Cr, Si) are investigated by using pair potentials based on ab initio method and lattice inversion technique. The calculated lattice parameters are found in good agreement with the values deduced from experiments. The calculated results show that either V, Ti or Cr makes the cohesive energy decrease markedly,...
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