Hostname: page-component-78c5997874-4rdpn Total loading time: 0 Render date: 2024-11-05T02:56:43.222Z Has data issue: false hasContentIssue false
  • English
  • Français

Electronic Structure Theory of the Ground State and Photoemission Spectra of Non-Magnetic δ-Pu, fcc-Am, and Pu-Am Alloys

Published online by Cambridge University Press:  26 February 2011

Alexander Shick ,
Ladislav Havela ,
Jindrich Kolorenc  and
Vaclav Drchal
Alexander Shick
Affiliation:
[email protected], Institute of Physics ASCR, Condensed Matter Theory, Na Slovance 2, Prague, 18221-CZ, Czech Republic, +420266052912
Ladislav Havela
Affiliation:
[email protected], Charles Univiersity, Department of Condensed Matter Physics, Ke Karlovu 5, Prague, 12116-CZ, Czech Republic
Jindrich Kolorenc
Affiliation:
[email protected], North Carolina State University, Raleigh, NC, 27695, United States
Vaclav Drchal
Affiliation:
[email protected], Institute of Physics ASCR, Condensed Matter Theory, Na Slovance 2, Prague, 18221-CZ, Czech Republic
Get access

Abstract

The around-the-mean-field version of the LDA+U correlated band theory is applied to investigate the electronic and magnetic structure of δ-Pu, Am, their alloys and compounds. It gives correct non-magnetic ground state for Pu and Am, and provides a good agreement with experimental equilibrium volumes and bulk moduli. For Pu-Am alloys, despite a lattice expansion caused by the Am atoms, neither tendency to 5f localization nor formation of local

Keywords

actinideelectronic structurephotoemission
Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 986: Symposium OO – Actinides 2006 – Basic Science, Applications and Technology , 2006 , 0986-OO01-06
Copyright
Copyright © Materials Research Society 2007

Access options

Get access to the full version of this content by using one of the access options below. (Log in options will check for institutional or personal access. Content may require purchase if you do not have access.)