Abstract
In the self-consistent scheme based on combining ab initio (LDA+U+SO)-calculation of the electron spectrum and the spin-fluctuation theory, we investigate features of the electron structure and magnetic susceptibility PuCoGa5. It is shown that, along with the contribution of the spin magnetic moments, is a significant orbital contribution to magnetic susceptibility. The main contribution to the formation of dependency χ(T) is made, the fluctuations of the spin density (FSD) of the f-electrons. The singlet doubling of electrons through the exchange of paramagnons investigated in this scheme, also. It is shown that in the f-electron is doubling cannot take place because of the saturation amplitude of the fluctuations of their spin density. Doubling of d-electrons due to exchange paramagnons is possibly since mode-mode coupling constant of FSD this electron subsystem–negative.
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The study was supported by Ministery of education and science of Russian Federation, project 14.A18.21.0737.
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Povzner, A.A., Volkov, A.G. & Kabirova, L.R. Electronic Structure and Spin-Fluctuation Effects in the Normal Phase PuCoGa5 . J Supercond Nov Magn 26, 1653–1656 (2013). https://doi.org/10.1007/s10948-012-2076-1
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DOI: https://doi.org/10.1007/s10948-012-2076-1