Electronic structure and magnetic susceptibility of monoclinic α-plutonium

The electronic structure of the α-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 5 f electrons is manifested in the split...

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Bibliographic Details
Published in:JETP letters 2014-08, Vol.99 (11), p.656-660
Main Authors: Povzner, A. A., Filanovich, A. N., Shorikov, A. O., Lukoyanov, A. V., Volkov, A. G.
Format: Article
Language:English
Subjects:
Atomic
Biological and Medical Physics
Biophysics
Condensed Matter
Molecular
Optical and Plasma Physics
Particle and Nuclear Physics
Physics
Physics and Astronomy
Quantum Information Technology
Solid State Physics
Spintronics
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Summary:The electronic structure of the α-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 5 f electrons is manifested in the splitting of the calculated density of the 5 f states, which makes a small contribution at the Fermi level on the order of the contribution from the 6 d states. Using the results of the ab initio calculations, the spin and orbit contributions to the magnetic susceptibility of α-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.
ISSN:0021-3640
1090-6487
DOI:10.1134/S0021364014110095