Issue
EPL
Volume 77, Number 1, January 2007
Article Number 17003
Number of page(s) 5
Section Condensed Matter: Electronic Structure, Electrical, Magnetic and Optical Properties
DOI http://dx.doi.org/10.1209/0295-5075/77/17003
Published online 28 December 2006
EPL, 77 (2007) 17003
DOI: 10.1209/0295-5075/77/17003

Multiplet effects in the electronic structure of $\boldsymbol\delta $-Pu, Am and their compounds

A. Shick1, J. Kolorenc1, 2, L. Havela3, V. Drchal1 and T. Gouder4

1  Institute of Physics, ASCR - Na Slovance 2, CZ-18221 Prague, Czech Republic
2  Department of Physics, North Carolina State University - Raleigh, NC 27695, USA
3  Department of Condensed Matter Physics, Faculty of Mathematics and Physics, Charles University - Ke Karlovu 5, CZ-12116 Prague, Czech Republic
4  European Commission, Joint Research Centre, Institute for Transuranium Elements - Postfach 2340, 76125 Karlsruhe, Germany


received 31 July 2006; accepted in final form 3 November 2006; published January 2007
published online 28 December 2006

Abstract
We propose a straightforward and efficient procedure to perform dynamical mean-field (DMFT) calculations on the top of the static mean-field LDA+U approximation. Starting from self-consistent LDA+U ground state we included multiplet transitions using the Hubbard-I approximation, which yields a very good agreement with experimental photoelectron spectra of $\delta $-Pu, Am, and their selected compounds.

PACS
71.20.Gj - Electronic structure of bulk materials: Other crystalline metals and alloys .
71.27.+a - Strongly correlated electron systems; heavy fermions .
79.60.-i - Photoemission and photoelectron spectra .

© Europhysics Letters Association 2007