Ground State Theory of delta-Pu
Strongly Correlated Electrons
2016-08-31 v1 Materials Science
Abstract
Correlation effects are important for making predictions in the delta phase of Pu. Using a realistic treatment of the intra-atomic Coulomb correlations we address the long-standing problem of computing ground state properties. The equilibrium volume is obtained in good agreement with experiment when taking into account Hubbard U of the order 4 eV. For this U, the calculation predicts a 5f5 atomic-like configuration with L=5, S=5/2, and J=5/2 and shows a nearly complete compensation between spin and orbital magnetic moments.
Cite
@article{arxiv.cond-mat/9908401,
title = {Ground State Theory of delta-Pu},
author = {S. Savrasov and MPI Stuttgart and G. Kotliar and Rutgers New Jersey},
journal= {arXiv preprint arXiv:cond-mat/9908401},
year = {2016}
}
Comments
4 pages, 1 postscript figure, 1 jpg figure (viewable via Netscape, IE)