First-principles elastic constants and phonons of $\delta$-Pu
ORAL
Abstract
Elastic constants and zone boundary phonons of $\delta$-Pu have been calculated within the density-functional theory. The electronic structure is modeled by disordered magnetism utilizing either the disordered local moment or the special quasi-random structure techniques. The anomalously soft C$^ {prime}$ as well as a large anisotropy ratio of $\delta$-Pu is reproduced by this first-principles model. Also the measured phonons for $\delta$-Pu compare relatively well with their theoretical counterpart at the zone boundary.
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Authors
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Per S\"oderlind
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Alexander Landa
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Babak Sadigh
Lawrence Livermore National Lab. , USA, Lawrence Livermore National Laboratory