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Modeling the actinides with disordered local moments

Anders M. N. Niklasson·John M. Wills·Mikhail I. Katsnelson·Igor A. Abrikosov·Olle Eriksson·Borje Johansson
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Abstract

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 $δ$-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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Anders M. N. Niklasson, John M. Wills, Mikhail I. Katsnelson, Igor A. Abrikosov, Olle Eriksson, Borje Johansson. 2002-09-17. Modeling the actinides with disordered local moments. https://doi.org/10.1103/physrevb.67.235105

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