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Electronic structure and magnetic properties of PuMGa5 compounds within the LDA + U + SO method

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Abstract

The electronic structure and magnetic properties of PuMGa5 compounds (M = Co, Fe, Ni, Rh, Ir) have been calculated within the LDA + U + SO method taking into account the strong electron-electron correlations and the spin-orbit coupling in the 5f shell of the actinide metal. The features of the electronic structure, coupling type, electron configuration, and magnetic state of the plutonium ion have been considered depending on the type of transition metal in PuMGa5. The estimates of the effective magnetic moment of the plutonium ion agree well with the known experimental values. It has been shown that the occupancy of d states of the transition metal correlates with the appearance of superconductivity in the compounds of this class, providing the optimum doping regime in the electronic subsystem.

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Authors and Affiliations

  1. Institute of Metal Physics, Ural Branch, Russian Academy of Sciences, Yekaterinburg, 620990, Russia

    A. V. Lukoyanov, A. O. Shorikov & V. I. Anisimov

  2. Ural Federal University, Yekaterinburg, 620002, Russia

    A. V. Lukoyanov, A. O. Shorikov & V. I. Anisimov

  3. Russian Federal Nuclear Center VNIITF, Snezhinsk, Chelyabinsk region, 456770, Russia

    V. V. Dremov

Authors
  1. A. V. Lukoyanov
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  2. A. O. Shorikov
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  3. V. I. Anisimov
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  4. V. V. Dremov
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Correspondence to A. V. Lukoyanov.

Additional information

Original Russian Text © A.V. Lukoyanov, A.O. Shorikov, V.I. Anisimov, V.V. Dremov, 2012, published in Pis’ma v Zhurnal Eksperimental’noi i Teoreticheskoi Fiziki, 2012, Vol. 96, No. 7, pp. 499–503.

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Lukoyanov, A.V., Shorikov, A.O., Anisimov, V.I. et al. Electronic structure and magnetic properties of PuMGa5 compounds within the LDA + U + SO method. Jetp Lett. 96, 452–455 (2012). https://doi.org/10.1134/S0021364012190101

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  • DOI: https://doi.org/10.1134/S0021364012190101

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