Density-functional electronic structure of PuCoGa5
Journal Article
·
· Physical Review, B: Condensed Matter
OSTI ID:15014307
Density-functional electronic-structure calculations for PuCoGa{sub 5} are performed to address the possibility of magnetic interactions in this high-temperature superconductor. Within an itinerant 5f-electron picture, cohesion and crystallographic parameters compares favorably with experiment, whereas only when spin and orbital interactions are accounted for the calculated electronic density of states agrees with photoemission spectra. This fact suggests that spin and orbital correlations are important for a correct description of the PuCoGa{sub 5} electronic structure and may play a role in an unconventional mechanism for superconductivity.
- Research Organization:
- Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
- Sponsoring Organization:
- USDOE
- DOE Contract Number:
- W-7405-ENG-48
- OSTI ID:
- 15014307
- Report Number(s):
- UCRL-JRNL-204675; PRBMDO; TRN: US0801177
- Journal Information:
- Physical Review, B: Condensed Matter, Vol. 70; ISSN 0163-1829
- Country of Publication:
- United States
- Language:
- English
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