Theory of spin and orbital magnetization densities with screened exchange interactions

摘要

An approximate orbital dependent treatment of screened exchange interactions is used to replace the local spin density approximation. We report application of this approximation to US and CeFe2. For US the spin and orbital moments are 1.25mu(B) and -2.92mu(B), respectively. For CeFe2 a detailed analysis of the spin and orbital magnetization densities shows that the measured magnetic amplitude for Ce is consistent with cerium 4f and 5d spin magnetic moments of about -0.2mu(B) each, a 4f orbital moment Of 0.08mu(B) and a diffuse spin magnetic moment of -0.04mu(B). (C) 2003 Elsevier B.V. All rights reserved. [References: 21]