Journal article
First-principles elastic constants and phonons of delta-Pu
Elastic constants and zone-boundary phonons of delta-plutonium have been calculated within the density-functional theory. The paramagnetic state of delta-Pu is modeled by disordered magnetism utilizing either the disordered local moment or the special quasirandom structure techniques. The anomalously soft C-' as well as a large anisotropy ratio (C-44/C-') of delta-Pu is reproduced by this theoretical model.
Also the recently measured phonons for delta-Pu compare relatively well with their theoretical counterpart at the zone boundaries.
Language: | English |
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Year: | 2004 |
ISSN: | 10953795 , 1550235x , 01631829 and 10980121 |
Types: | Journal article |
DOI: | 10.1103/PhysRevB.70.144103 |