期刊
JOURNAL OF PHYSICS-CONDENSED MATTER
卷 20, 期 42, 页码 -出版社
IOP PUBLISHING LTD
DOI: 10.1088/0953-8984/20/42/422202
关键词
-
资金
- US Department of Energy
Using a density functional theory based approach that treats the 5f electrons relativistically, a Pu electronic structure with zero net magnetic moment is obtained, where the 5f orbital and 5f spin moments cancel each other. By combining the spin and orbital specific densities of states with state, spin and polarization specific transition moments, it is possible to reconstruct the experimentally observed photoemission spectra from Pu. Extrapolating to a spin-resolving Fano configuration, it is shown how this would resolve the extant controversy over Pu electronic structure.
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