Modeling the actinides with disordered local moments

Details Modeling the actinides with disordered local moments Modeling the actinides with disordered local moments

2002-09-17

arxiv.org/abs/cond-mat/0209411v1

Physics

Condensed Matter

Materials Science

6 pages, 4 figures

Scientific paper

10.1103/PhysRevB.67.235105

A first-principles disordered local moment (DLM) picture within the local-spin-density and coherent potential approximations (LSDA+CPA) of the actinides is presented. The parameter free theory gives an accurate description of bond lengths and bulk modulus. The case of $\delta$-Pu is studied in particular and the calculated density of states is compared to data from photo-electron spectroscopy. The relation between the DLM description, the dynamical mean field approach and spin-polarized magnetically ordered modeling is discussed.

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