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Metals
Features of electronic structure of intermetallic compounds CeNi$_{4}M$ ($M$ = Fe, Co, Ni, Cu)
A. V. Lukoyanovab, A. A. Shirokovb a Institute of Metal Physics, Ural Division of the Russian Academy of Sciences, Ekaterinburg
b Ural Federal University named after the First President of Russia B. N. Yeltsin, Ekaterinburg
Abstract:
The evolution of the electronic structure of CeNi$_{4}M$ ($M$ = 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, whereas a position of 3$g$ type is better for a copper impurity. The Cu substitutional impurity does not change either the nonmagnetic state of ions or the total density at the Fermi level states. Fe and Co impurities, on the contrary, due to their considerable magnetic moments, induce magnetization of 3$d$ states of nickel and cause significant changes in the electronic state density at the Fermi level.
Received: 19.09.2017
Citation:
A. V. Lukoyanov, A. A. Shirokov, “Features of electronic structure of intermetallic compounds CeNi$_{4}M$ ($M$ = Fe, Co, Ni, Cu)”, Fizika Tverdogo Tela, 60:3 (2018), 461–464; Phys. Solid State, 60:3 (2018), 466–469
Linking options:
https://www.mathnet.ru/eng/ftt9263 https://www.mathnet.ru/eng/ftt/v60/i3/p461
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Abstract page: | 32 | Full-text PDF : | 7 |
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