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JOURNALS // Pis'ma v Zhurnal Èksperimental'noi i Teoreticheskoi Fiziki // Archive

Pis'ma v Zh. Èksper. Teoret. Fiz., 2014 Volume 99, Issue 11, Pages 760–765 (Mi jetpl3752)

This article is cited in 2 papers

CONDENSED MATTER

Electronic structure and magnetic susceptibility of monoclinic $\alpha$-plutonium

A. A. Povznera, A. N. Filanovicha, A. O. Shorikovba, A. V. Lukoyanovba, A. G. Volkova

a Ural Federal University named after the First President of Russia B. N. Yeltsin, Ekaterinburg
b Institute of Metal Physics, Ural Division of the Russian Academy of Sciences

Abstract: The electronic structure of the $\alpha$-phase of plutonium has been calculated by the band methods with allowance for the spin-orbit interaction and Coulomb correlations in the complete matrix form (the LDA+U+SO method). The strong spin-orbit interaction of the $5f$ electrons is manifested in the splitting of the calculated density of the $5f$ states, which makes a small contribution at the Fermi level on the order of the contribution from the $6d$ states. Using the results of the ab initio calculations, the spin and orbit contributions to the magnetic susceptibility of á-plutonium have been determined. Along with the impurity contribution, they describe well the experimental data on the susceptibility of this plutonium phase to a temperature of $300$ K.

Received: 07.04.2014
Revised: 12.05.2014

DOI: 10.7868/S0370274X14110095


 English version:
Journal of Experimental and Theoretical Physics Letters, 2014, 99:11, 656–660

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