Modeling the actinides with disordered local moments
Materials Science
2009-11-07 v1 Strongly Correlated Electrons
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 -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.
Cite
@article{arxiv.cond-mat/0209411,
title = {Modeling the actinides with disordered local moments},
author = {Anders M. N. Niklasson and John M. Wills and Mikhail I. Katsnelson and Igor A. Abrikosov and Olle Eriksson and Borje Johansson},
journal= {arXiv preprint arXiv:cond-mat/0209411},
year = {2009}
}
Comments
6 pages, 4 figures