期刊
JOURNAL OF PHYSICS-CONDENSED MATTER
卷 15, 期 17, 页码 2607-2624出版社
IOP PUBLISHING LTD
DOI: 10.1088/0953-8984/15/17/315
关键词
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Using the fully relativistic, full potential, spin-polarized, linearized augmented-plane-wave (RSPFLAPW) method, the energy differences, the electronic structure and magnetic moments of alpha- and delta-plutonium with different alignments of the atomic magnetic moments have been calculated. We have found in our calculations that both alpha-Pu and delta-Pu structures have an antiferromagnetic order at their experimental equilibrium volumes. Similar results have also been obtained by other researchers for delta-Pu. An important conclusion from the present work is that taking the spin polarization into account improves the calculated density of states for alpha-Pu. This fact may be considered as an argument for the importance of magnetic interactions in the low temperature phase of plutonium.
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