Abstract:The evolution of the electronic structure of CeNi_4M (M = Fe, Co, Ni, Cu) intermetallics depending on the type of nickel substitutional impurity is explored. We have calculated band structures of these compounds and considered options of substituting one atom in nickel 3 d sublattice in both types of crystallographic positions: 2 c and 3 g . The analysis of total energy self-consistent calculations has shown that positions of 2 c type are more energetically advantageous for single iron and cobalt impurities, w… Show more
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